chematic-ff 0.6.0

//! MMFF94 bond stretching parameters (Halgren 1996 Table IV).

use super::BondEnergyParams;

/// 493 bond stretching entries (Halgren 1996 Table IV). Sorted by (bond_type, type_i, type_j).
/// type_i ≤ type_j (pairs normalized for binary search).
pub static MMFF94_BOND_ENERGY: &[(u8, u8, u8, f64, f64)] = &[
    (0, 1, 1, 4.2580, 1.5080),
    (0, 1, 2, 4.5390, 1.4820),
    (0, 1, 3, 4.1900, 1.4920),
    (0, 1, 4, 4.7070, 1.4590),
    (0, 1, 5, 4.7660, 1.0930),
    (0, 1, 6, 5.0470, 1.4180),
    (0, 1, 8, 5.0840, 1.4510),
    (0, 1, 9, 4.7630, 1.4580),
    (0, 1, 10, 4.6640, 1.4360),
    (0, 1, 11, 6.0110, 1.3600),
    (0, 1, 12, 2.9740, 1.7730),
    (0, 1, 13, 2.5290, 1.9490),
    (0, 1, 14, 1.7060, 2.0900),
    (0, 1, 15, 2.8930, 1.8050),
    (0, 1, 17, 2.8410, 1.8130),
    (0, 1, 18, 3.2580, 1.7720),
    (0, 1, 19, 2.8660, 1.8300),
    (0, 1, 20, 4.6500, 1.5040),
    (0, 1, 22, 4.2860, 1.4820),
    (0, 1, 25, 2.9800, 1.8100),
    (0, 1, 26, 2.7900, 1.8300),
    (0, 1, 34, 3.8440, 1.4800),
    (0, 1, 35, 7.9150, 1.3070),
    (0, 1, 37, 4.9570, 1.4860),
    (0, 1, 39, 6.1140, 1.4450),
    (0, 1, 40, 4.9220, 1.4460),
    (0, 1, 41, 3.8300, 1.5100),
    (0, 1, 43, 3.9710, 1.4720),
    (0, 1, 45, 3.8440, 1.4800),
    (0, 1, 46, 3.8130, 1.4820),
    (0, 1, 54, 4.2670, 1.4610),
    (0, 1, 55, 4.6460, 1.4540),
    (0, 1, 56, 4.1660, 1.4530),
    (0, 1, 57, 4.6690, 1.4610),
    (0, 1, 58, 4.3290, 1.4510),
    (0, 1, 61, 4.8450, 1.4240),
    (0, 1, 62, 4.4560, 1.4440),
    (0, 1, 63, 4.4810, 1.4710),
    (0, 1, 64, 4.5180, 1.4690),
    (0, 1, 67, 4.1880, 1.4590),
    (0, 1, 68, 4.2170, 1.4790),
    (0, 1, 72, 2.9560, 1.8010),
    (0, 1, 73, 2.6080, 1.8390),
    (0, 1, 75, 2.5470, 1.8580),
    (0, 1, 78, 4.5930, 1.4650),
    (0, 1, 80, 4.3730, 1.4770),
    (0, 1, 81, 4.5120, 1.4410),
    (0, 2, 2, 9.5050, 1.3330),
    (0, 2, 4, 9.5380, 1.2970),
    (0, 2, 5, 5.1700, 1.0830),
    (0, 2, 6, 5.5200, 1.3730),
    (0, 2, 10, 6.3290, 1.3620),
    (0, 2, 11, 6.2830, 1.3500),
    (0, 2, 12, 3.3900, 1.7200),
    (0, 2, 13, 3.4130, 1.8540),
    (0, 2, 14, 2.0620, 2.0250),
    (0, 2, 15, 3.8960, 1.7200),
    (0, 2, 17, 3.2470, 1.7730),
    (0, 2, 18, 3.7890, 1.7280),
    (0, 2, 19, 3.0520, 1.8110),
    (0, 2, 20, 4.5930, 1.4650),
    (0, 2, 22, 4.9260, 1.4480),
    (0, 2, 25, 3.7500, 1.7420),
    (0, 2, 30, 8.1660, 1.3310),
    (0, 2, 34, 5.2070, 1.4070),
    (0, 2, 35, 10.3430, 1.2500),
    (0, 2, 40, 6.1100, 1.3700),
    (0, 2, 41, 3.7460, 1.5050),
    (0, 2, 43, 4.9280, 1.4200),
    (0, 2, 45, 4.7250, 1.4300),
    (0, 2, 46, 7.4660, 1.3250),
    (0, 2, 55, 6.1640, 1.3680),
    (0, 2, 56, 6.2460, 1.3650),
    (0, 2, 62, 7.1050, 1.3360),
    (0, 2, 72, 4.1790, 1.7000),
    (0, 3, 5, 4.6500, 1.1010),
    (0, 3, 6, 5.8010, 1.3550),
    (0, 3, 7, 12.9500, 1.2220),
    (0, 3, 9, 10.0770, 1.2900),
    (0, 3, 10, 5.8290, 1.3690),
    (0, 3, 11, 6.5700, 1.3400),
    (0, 3, 12, 3.4490, 1.7150),
    (0, 3, 15, 3.5360, 1.7480),
    (0, 3, 16, 4.7350, 1.6650),
    (0, 3, 17, 2.8880, 1.8080),
    (0, 3, 18, 3.3940, 1.7600),
    (0, 3, 20, 3.2980, 1.5300),
    (0, 3, 22, 4.5930, 1.4650),
    (0, 3, 25, 3.1640, 1.7920),
    (0, 3, 35, 11.0120, 1.2370),
    (0, 3, 40, 6.1100, 1.3700),
    (0, 3, 41, 4.2860, 1.4820),
    (0, 3, 43, 4.9280, 1.4200),
    (0, 3, 45, 4.5310, 1.4400),
    (0, 3, 48, 5.4120, 1.3980),
    (0, 3, 51, 8.5620, 1.2900),
    (0, 3, 53, 7.6370, 1.3200),
    (0, 3, 54, 10.3330, 1.2800),
    (0, 3, 55, 4.8860, 1.4220),
    (0, 3, 56, 4.9070, 1.4210),
    (0, 3, 62, 7.5680, 1.3220),
    (0, 3, 67, 8.2170, 1.3040),
    (0, 3, 74, 5.2040, 1.6390),
    (0, 3, 75, 4.1910, 1.7100),
    (0, 4, 4, 15.2060, 1.2000),
    (0, 4, 5, 5.7260, 1.0650),
    (0, 4, 6, 7.1930, 1.3280),
    (0, 4, 7, 14.9160, 1.1760),
    (0, 4, 9, 15.5890, 1.1720),
    (0, 4, 10, 6.8240, 1.3450),
    (0, 4, 15, 4.3300, 1.6900),
    (0, 4, 20, 5.1780, 1.4360),
    (0, 4, 22, 5.4000, 1.4260),
    (0, 4, 30, 10.2270, 1.2820),
    (0, 4, 42, 16.5820, 1.1600),
    (0, 4, 43, 6.9470, 1.3410),
    (0, 5, 19, 2.2540, 1.4850),
    (0, 5, 20, 4.8520, 1.0930),
    (0, 5, 22, 5.1910, 1.0820),
    (0, 5, 30, 5.1760, 1.0860),
    (0, 5, 37, 5.3060, 1.0840),
    (0, 5, 41, 3.2560, 1.1440),
    (0, 5, 57, 5.6330, 1.0760),
    (0, 5, 63, 5.5310, 1.0800),
    (0, 5, 64, 5.5060, 1.0800),
    (0, 5, 78, 5.5060, 1.0800),
    (0, 5, 80, 5.6330, 1.0760),
    (0, 6, 6, 4.0880, 1.4490),
    (0, 6, 8, 5.0590, 1.4500),
    (0, 6, 9, 4.4910, 1.3950),
    (0, 6, 10, 5.9820, 1.4100),
    (0, 6, 15, 4.7570, 1.6610),
    (0, 6, 17, 5.7790, 1.6080),
    (0, 6, 18, 5.3260, 1.6300),
    (0, 6, 19, 4.6610, 1.6600),
    (0, 6, 20, 5.6230, 1.4330),
    (0, 6, 21, 7.7940, 0.9720),
    (0, 6, 22, 4.5560, 1.4330),
    (0, 6, 24, 7.4030, 0.9810),
    (0, 6, 25, 5.2430, 1.6300),
    (0, 6, 26, 5.4810, 1.6180),
    (0, 6, 29, 7.8390, 0.9730),
    (0, 6, 30, 9.3590, 1.2710),
    (0, 6, 33, 7.1430, 0.9860),
    (0, 6, 37, 5.6140, 1.3760),
    (0, 6, 39, 4.6290, 1.3880),
    (0, 6, 40, 4.6090, 1.3890),
    (0, 6, 41, 6.7540, 1.3420),
    (0, 6, 43, 3.9370, 1.4260),
    (0, 6, 45, 4.3210, 1.4040),
    (0, 6, 54, 5.1170, 1.3650),
    (0, 6, 55, 4.7720, 1.3810),
    (0, 6, 57, 7.1280, 1.3300),
    (0, 6, 58, 4.7920, 1.3800),
    (0, 6, 63, 7.3240, 1.3240),
    (0, 6, 64, 6.6640, 1.3450),
    (0, 7, 17, 8.7700, 1.5000),
    (0, 7, 46, 9.3290, 1.2350),
    (0, 7, 74, 9.1290, 1.4900),
    (0, 8, 8, 3.2640, 1.4200),
    (0, 8, 9, 4.5810, 1.3420),
    (0, 8, 10, 3.9090, 1.3780),
    (0, 8, 12, 3.3710, 1.7610),
    (0, 8, 15, 4.0600, 1.6520),
    (0, 8, 17, 3.9010, 1.6630),
    (0, 8, 19, 4.2540, 1.7000),
    (0, 8, 20, 5.1070, 1.4560),
    (0, 8, 22, 4.2230, 1.4570),
    (0, 8, 23, 6.4900, 1.0190),
    (0, 8, 25, 4.6290, 1.6600),
    (0, 8, 26, 4.0270, 1.6990),
    (0, 8, 34, 3.7750, 1.3860),
    (0, 8, 39, 3.4350, 1.4080),
    (0, 8, 40, 3.7100, 1.3900),
    (0, 8, 43, 3.9770, 1.3740),
    (0, 8, 45, 4.2670, 1.3580),
    (0, 8, 46, 5.5190, 1.3010),
    (0, 8, 55, 4.2290, 1.3600),
    (0, 8, 56, 3.9950, 1.3730),
    (0, 9, 9, 7.2560, 1.2430),
    (0, 9, 10, 4.4800, 1.3470),
    (0, 9, 12, 3.6350, 1.7390),
    (0, 9, 15, 3.7910, 1.6710),
    (0, 9, 18, 4.4650, 1.6260),
    (0, 9, 19, 3.6870, 1.7410),
    (0, 9, 20, 4.4010, 1.4470),
    (0, 9, 25, 5.3790, 1.6190),
    (0, 9, 27, 6.2300, 1.0260),
    (0, 9, 34, 3.2230, 1.4230),
    (0, 9, 35, 5.0950, 1.3660),
    (0, 9, 40, 4.3820, 1.3520),
    (0, 9, 41, 5.6500, 1.3880),
    (0, 9, 45, 4.8570, 1.3290),
    (0, 9, 53, 7.2910, 1.2420),
    (0, 9, 54, 4.9910, 1.3230),
    (0, 9, 55, 3.8250, 1.3830),
    (0, 9, 56, 4.6020, 1.3410),
    (0, 9, 62, 4.7490, 1.3340),
    (0, 9, 67, 6.7520, 1.2580),
    (0, 10, 10, 3.9770, 1.3740),
    (0, 10, 13, 3.1100, 1.8780),
    (0, 10, 14, 1.9670, 2.0290),
    (0, 10, 15, 3.5930, 1.6860),
    (0, 10, 17, 3.9300, 1.6610),
    (0, 10, 20, 4.2400, 1.4560),
    (0, 10, 22, 4.9700, 1.4180),
    (0, 10, 25, 3.8200, 1.7140),
    (0, 10, 26, 3.6510, 1.7270),
    (0, 10, 28, 6.6630, 1.0150),
    (0, 10, 34, 3.9600, 1.3750),
    (0, 10, 35, 4.8980, 1.3750),
    (0, 10, 37, 5.4820, 1.3950),
    (0, 10, 39, 4.3820, 1.3520),
    (0, 10, 40, 3.8410, 1.3820),
    (0, 10, 41, 7.4660, 1.3250),
    (0, 10, 45, 3.5240, 1.4020),
    (0, 10, 63, 6.1370, 1.3690),
    (0, 10, 64, 5.9520, 1.3760),
    (0, 11, 20, 6.3390, 1.3480),
    (0, 11, 22, 5.2960, 1.3890),
    (0, 11, 25, 6.0190, 1.5830),
    (0, 11, 26, 6.2040, 1.5750),
    (0, 11, 37, 6.5110, 1.3420),
    (0, 11, 40, 4.1870, 1.4400),
    (0, 12, 15, 2.9780, 2.0310),
    (0, 12, 18, 2.8080, 2.0510),
    (0, 12, 19, 2.8380, 2.0500),
    (0, 12, 20, 2.8590, 1.7510),
    (0, 12, 22, 3.0560, 1.7500),
    (0, 12, 25, 3.0630, 2.0230),
    (0, 12, 26, 2.4480, 2.1000),
    (0, 12, 37, 3.3780, 1.7210),
    (0, 12, 40, 3.7370, 1.7310),
    (0, 12, 57, 3.7140, 1.6940),
    (0, 12, 63, 3.4130, 1.7180),
    (0, 12, 64, 3.6490, 1.6990),
    (0, 13, 20, 2.7670, 1.9200),
    (0, 13, 22, 2.9280, 1.9020),
    (0, 13, 37, 3.0310, 1.8910),
    (0, 13, 64, 3.0310, 1.8910),
    (0, 14, 20, 0.8840, 2.3320),
    (0, 14, 37, 1.7810, 2.0750),
    (0, 15, 15, 2.5310, 2.0500),
    (0, 15, 18, 2.2140, 2.0940),
    (0, 15, 19, 2.0220, 2.1460),
    (0, 15, 20, 2.7570, 1.8220),
    (0, 15, 22, 3.8020, 1.7270),
    (0, 15, 25, 2.3190, 2.1120),
    (0, 15, 26, 2.3590, 2.1060),
    (0, 15, 30, 3.7500, 1.7310),
    (0, 15, 37, 3.5650, 1.7650),
    (0, 15, 40, 3.8590, 1.6660),
    (0, 15, 43, 3.2210, 1.7170),
    (0, 15, 57, 3.9930, 1.7130),
    (0, 15, 63, 3.7240, 1.7330),
    (0, 15, 64, 3.5480, 1.7470),
    (0, 15, 71, 4.0140, 1.3410),
    (0, 17, 20, 2.3970, 1.8650),
    (0, 17, 22, 2.5660, 1.8440),
    (0, 17, 37, 3.0980, 1.7870),
    (0, 17, 43, 4.9000, 1.6010),
    (0, 18, 20, 3.1720, 1.7800),
    (0, 18, 22, 2.7570, 1.8220),
    (0, 18, 32, 10.7480, 1.4500),
    (0, 18, 37, 3.2810, 1.7700),
    (0, 18, 39, 3.5040, 1.6930),
    (0, 18, 43, 3.3010, 1.7100),
    (0, 18, 48, 6.1860, 1.5400),
    (0, 18, 55, 4.4320, 1.6280),
    (0, 18, 58, 2.5680, 1.7830),
    (0, 18, 62, 5.5100, 1.5700),
    (0, 18, 63, 3.5240, 1.7490),
    (0, 18, 64, 3.8560, 1.7230),
    (0, 18, 80, 4.1500, 1.7020),
    (0, 19, 20, 2.2880, 1.9000),
    (0, 19, 37, 3.0720, 1.8090),
    (0, 19, 40, 4.4700, 1.6860),
    (0, 19, 63, 3.2190, 1.7950),
    (0, 19, 75, 1.6000, 2.2260),
    (0, 20, 20, 3.6630, 1.5260),
    (0, 20, 22, 4.2510, 1.4840),
    (0, 20, 25, 2.7180, 1.8380),
    (0, 20, 26, 2.5880, 1.8530),
    (0, 20, 30, 3.9770, 1.5070),
    (0, 20, 34, 4.1710, 1.4600),
    (0, 20, 37, 3.7400, 1.5160),
    (0, 20, 40, 4.7840, 1.4270),
    (0, 20, 41, 4.2860, 1.4820),
    (0, 20, 43, 3.7370, 1.4870),
    (0, 20, 45, 3.8440, 1.4800),
    (0, 22, 22, 3.9690, 1.4990),
    (0, 22, 30, 3.7850, 1.5130),
    (0, 22, 34, 4.1030, 1.4640),
    (0, 22, 37, 4.4810, 1.4710),
    (0, 22, 40, 4.1880, 1.4590),
    (0, 22, 41, 5.0710, 1.4410),
    (0, 22, 43, 4.0700, 1.4660),
    (0, 22, 45, 4.3110, 1.4520),
    (0, 23, 39, 7.1120, 1.0120),
    (0, 23, 62, 6.3390, 1.0260),
    (0, 23, 67, 6.6100, 1.0190),
    (0, 23, 68, 5.8990, 1.0380),
    (0, 25, 25, 1.5140, 2.2530),
    (0, 25, 32, 8.2960, 1.5100),
    (0, 25, 37, 3.5860, 1.7550),
    (0, 25, 39, 4.3700, 1.6760),
    (0, 25, 40, 4.6290, 1.6600),
    (0, 25, 43, 3.2370, 1.7620),
    (0, 25, 57, 4.3560, 1.6990),
    (0, 25, 63, 3.7110, 1.7450),
    (0, 25, 71, 3.0010, 1.4110),
    (0, 25, 72, 3.7440, 1.9500),
    (0, 26, 26, 1.4140, 2.2790),
    (0, 26, 34, 3.3950, 1.7480),
    (0, 26, 37, 3.2070, 1.7880),
    (0, 26, 40, 4.8700, 1.6460),
    (0, 26, 71, 2.9590, 1.4150),
    (0, 28, 40, 6.5760, 1.0180),
    (0, 28, 43, 6.2650, 1.0280),
    (0, 28, 48, 6.4130, 1.0240),
    (0, 30, 30, 9.5790, 1.3430),
    (0, 30, 40, 8.4470, 1.2980),
    (0, 31, 70, 7.8800, 0.9690),
    (0, 32, 41, 9.7560, 1.2610),
    (0, 32, 45, 9.4200, 1.2330),
    (0, 32, 67, 7.9260, 1.2690),
    (0, 32, 68, 4.3980, 1.3480),
    (0, 32, 69, 6.0980, 1.2610),
    (0, 32, 73, 8.4270, 1.5100),
    (0, 32, 77, 10.6480, 1.4500),
    (0, 32, 82, 8.5940, 1.2520),
    (0, 34, 36, 6.1630, 1.0280),
    (0, 34, 37, 4.3470, 1.4500),
    (0, 34, 43, 4.4010, 1.3510),
    (0, 35, 37, 9.7670, 1.2620),
    (0, 35, 63, 12.7600, 1.2070),
    (0, 36, 54, 6.5290, 1.0220),
    (0, 36, 55, 6.7440, 1.0140),
    (0, 36, 56, 6.4900, 1.0170),
    (0, 36, 58, 6.6100, 1.0190),
    (0, 36, 81, 6.9800, 1.0160),
    (0, 37, 37, 5.5730, 1.3740),
    (0, 37, 38, 5.7370, 1.3330),
    (0, 37, 39, 5.9780, 1.3750),
    (0, 37, 40, 6.1680, 1.3980),
    (0, 37, 41, 4.5370, 1.4680),
    (0, 37, 43, 4.7640, 1.4280),
    (0, 37, 45, 4.7050, 1.4310),
    (0, 37, 46, 6.1910, 1.3670),
    (0, 37, 55, 6.6150, 1.3520),
    (0, 37, 56, 5.0550, 1.4140),
    (0, 37, 58, 7.4320, 1.3260),
    (0, 37, 61, 5.7240, 1.3850),
    (0, 37, 62, 7.1370, 1.3350),
    (0, 37, 63, 6.0950, 1.3720),
    (0, 37, 64, 6.1610, 1.3790),
    (0, 37, 69, 5.3960, 1.3520),
    (0, 37, 78, 6.7190, 1.3750),
    (0, 37, 81, 3.9870, 1.4710),
    (0, 38, 38, 5.0020, 1.2460),
    (0, 38, 63, 7.2990, 1.3300),
    (0, 38, 64, 6.9780, 1.3400),
    (0, 38, 69, 5.0360, 1.3210),
    (0, 38, 78, 6.2180, 1.3660),
    (0, 39, 40, 4.1010, 1.3670),
    (0, 39, 45, 3.5240, 1.4020),
    (0, 39, 63, 6.3010, 1.3640),
    (0, 39, 64, 6.3570, 1.3610),
    (0, 39, 65, 5.5130, 1.3390),
    (0, 39, 78, 6.1370, 1.3690),
    (0, 40, 40, 4.2480, 1.3590),
    (0, 40, 45, 4.3050, 1.3560),
    (0, 40, 46, 4.7270, 1.3350),
    (0, 40, 54, 6.8170, 1.2560),
    (0, 40, 63, 6.7330, 1.3480),
    (0, 40, 64, 6.6440, 1.3510),
    (0, 40, 78, 5.9000, 1.3780),
    (0, 41, 41, 5.0290, 1.4430),
    (0, 41, 55, 5.5770, 1.3910),
    (0, 41, 62, 7.1370, 1.3350),
    (0, 41, 72, 4.5190, 1.6780),
    (0, 41, 80, 5.2220, 1.4340),
    (0, 42, 61, 16.2230, 1.0870),
    (0, 43, 43, 4.2110, 1.3610),
    (0, 43, 45, 3.7100, 1.3900),
    (0, 43, 64, 5.3890, 1.3990),
    (0, 44, 63, 3.5890, 1.7170),
    (0, 44, 65, 3.3740, 1.6840),
    (0, 44, 78, 3.7110, 1.7340),
    (0, 44, 80, 3.9100, 1.7190),
    (0, 45, 63, 5.1190, 1.4110),
    (0, 45, 64, 5.0760, 1.4130),
    (0, 45, 78, 5.7240, 1.3850),
    (0, 47, 53, 12.1920, 1.1400),
    (0, 49, 50, 6.8120, 0.9910),
    (0, 51, 52, 7.1000, 0.9870),
    (0, 55, 57, 7.2270, 1.3190),
    (0, 55, 62, 3.9770, 1.3740),
    (0, 55, 64, 5.5290, 1.3930),
    (0, 55, 80, 7.5000, 1.3240),
    (0, 56, 57, 4.1370, 1.3830),
    (0, 56, 63, 5.9000, 1.3780),
    (0, 56, 80, 6.4700, 1.3570),
    (0, 58, 63, 6.7940, 1.3460),
    (0, 58, 64, 6.1640, 1.3680),
    (0, 59, 63, 5.7870, 1.3600),
    (0, 59, 65, 4.7560, 1.3880),
    (0, 59, 78, 6.1270, 1.3640),
    (0, 59, 80, 7.0640, 1.3320),
    (0, 59, 82, 3.8550, 1.4310),
    (0, 60, 61, 15.7490, 1.1700),
    (0, 62, 63, 6.9470, 1.3410),
    (0, 62, 64, 6.2730, 1.3640),
    (0, 63, 64, 7.1180, 1.3770),
    (0, 63, 66, 8.3260, 1.3130),
    (0, 63, 72, 4.5030, 1.6790),
    (0, 63, 78, 7.4340, 1.3520),
    (0, 63, 81, 7.7780, 1.3160),
    (0, 64, 64, 4.3130, 1.4180),
    (0, 64, 65, 8.2580, 1.3350),
    (0, 64, 66, 4.4560, 1.3690),
    (0, 64, 78, 5.4920, 1.4220),
    (0, 64, 81, 5.8240, 1.3810),
    (0, 64, 82, 6.7940, 1.3460),
    (0, 65, 66, 7.2430, 1.3230),
    (0, 65, 78, 8.4470, 1.2980),
    (0, 65, 81, 5.2230, 1.3130),
    (0, 65, 82, 5.6220, 1.2970),
    (0, 66, 66, 3.8740, 1.3680),
    (0, 66, 78, 6.3850, 1.3600),
    (0, 66, 81, 3.9600, 1.3750),
    (0, 67, 67, 6.0850, 1.2800),
    (0, 71, 75, 2.8520, 1.4230),
    (0, 72, 73, 2.6280, 2.0350),
    (0, 76, 76, 4.2860, 1.3570),
    (0, 76, 78, 6.8240, 1.3450),
    (0, 78, 78, 5.5730, 1.3740),
    (0, 78, 79, 8.8900, 1.2870),
    (0, 78, 81, 5.0460, 1.3810),
    (0, 79, 79, 6.4080, 1.2690),
    (0, 79, 81, 4.3050, 1.3560),
    (0, 80, 81, 8.2370, 1.3350),
    (1, 2, 2, 5.3100, 1.4300),
    (1, 2, 3, 4.5650, 1.4680),
    (1, 2, 4, 5.6570, 1.4150),
    (1, 2, 9, 6.3850, 1.3600),
    (1, 2, 37, 5.0070, 1.4490),
    (1, 2, 39, 6.1640, 1.3680),
    (1, 2, 63, 6.0300, 1.4000),
    (1, 2, 64, 5.7540, 1.4110),
    (1, 2, 67, 4.6850, 1.4320),
    (1, 2, 81, 6.3570, 1.3610),
    (1, 3, 3, 4.4180, 1.4890),
    (1, 3, 4, 5.1350, 1.4380),
    (1, 3, 9, 6.2730, 1.3640),
    (1, 3, 30, 4.4810, 1.4710),
    (1, 3, 37, 4.4880, 1.4570),
    (1, 3, 39, 5.9780, 1.3750),
    (1, 3, 54, 2.7710, 1.5630),
    (1, 3, 57, 5.4920, 1.4220),
    (1, 3, 58, 5.1630, 1.4090),
    (1, 3, 63, 5.4680, 1.4230),
    (1, 3, 64, 5.2880, 1.4310),
    (1, 3, 78, 5.7050, 1.4130),
    (1, 3, 80, 6.7190, 1.3750),
    (1, 4, 9, 7.0410, 1.3380),
    (1, 4, 37, 5.4450, 1.4240),
    (1, 4, 63, 5.6330, 1.4160),
    (1, 4, 64, 5.4920, 1.4220),
    (1, 9, 9, 3.8080, 1.3840),
    (1, 9, 37, 5.5290, 1.3930),
    (1, 9, 39, 4.6850, 1.3370),
    (1, 9, 57, 6.8240, 1.3450),
    (1, 9, 63, 6.8240, 1.3450),
    (1, 9, 64, 5.4580, 1.3960),
    (1, 9, 78, 6.6440, 1.3510),
    (1, 9, 81, 3.9090, 1.3780),
    (1, 30, 30, 5.3550, 1.4280),
    (1, 30, 67, 5.2740, 1.4040),
    (1, 37, 37, 5.1780, 1.4360),
    (1, 37, 39, 5.6500, 1.3880),
    (1, 37, 57, 5.0920, 1.4400),
    (1, 37, 58, 5.0550, 1.4140),
    (1, 37, 63, 5.1780, 1.4360),
    (1, 37, 64, 5.2650, 1.4320),
    (1, 37, 67, 4.7250, 1.4300),
    (1, 37, 81, 4.5310, 1.4400),
    (1, 39, 63, 6.1370, 1.3690),
    (1, 39, 64, 5.4820, 1.3950),
    (1, 57, 63, 5.4000, 1.4260),
    (1, 57, 64, 5.1350, 1.4380),
    (1, 63, 63, 5.7290, 1.4120),
    (1, 64, 64, 4.9260, 1.4480),
];

/// Look up bond stretching parameters by MMFF94 numeric atom types.
///
/// `bond_type`: 0 for most single bonds; 1 for bonds adjacent to π systems.
/// Pair is normalized (min/max) so argument order does not matter.
pub fn mmff94_bond_energy(bond_type: u8, type_i: u8, type_j: u8) -> Option<BondEnergyParams> {
    let (ti, tj) = if type_i <= type_j {
        (type_i, type_j)
    } else {
        (type_j, type_i)
    };
    MMFF94_BOND_ENERGY
        .binary_search_by_key(&(bond_type, ti, tj), |&(bt, a, b, _, _)| (bt, a, b))
        .ok()
        .map(|idx| {
            let (_, _, _, kb, r0) = MMFF94_BOND_ENERGY[idx];
            BondEnergyParams { kb, r0 }
        })
}