# MOL2 file generated by ConQuest
# Please check atom types
@<TRIPOS>MOLECULE
VATTOC
130 146 1
SMALL
NO_CHARGES
****
Generated from CSD
@<TRIPOS>ATOM
1 F1 2.5832 -1.0102 8.0937 F 1 RES1 0.0000
2 F2 2.1809 -2.9723 9.8517 F 1 RES1 0.0000
3 F3 4.0406 -3.5393 11.6891 F 1 RES1 0.0000
4 F4 6.3556 -2.1961 11.6963 F 1 RES1 0.0000
5 F5 6.7710 -0.1783 9.9918 F 1 RES1 0.0000
6 F6 9.9988 0.4283 4.7616 F 1 RES1 0.0000
7 F7 11.5267 -1.2364 3.3470 F 1 RES1 0.0000
8 F8 10.7359 -2.0732 0.9080 F 1 RES1 0.0000
9 F9 8.3229 -1.3425 -0.0469 F 1 RES1 0.0000
10 F10 6.7416 0.2264 1.3940 F 1 RES1 0.0000
11 F11 3.8157 3.9842 0.3351 F 1 RES1 0.0000
12 F12 3.3561 5.5612 -1.7710 F 1 RES1 0.0000
13 F13 3.3287 8.2429 -1.4965 F 1 RES1 0.0000
14 F14 3.8314 9.3433 0.9129 F 1 RES1 0.0000
15 F15 4.4580 7.7978 2.9858 F 1 RES1 0.0000
16 N1 3.9227 2.5736 7.0088 N.pl3 1 RES1 0.0000
17 H1 4.3555 2.4299 6.1970 H 1 RES1 0.0000
18 N2 6.1505 1.3195 6.0627 N.pl3 1 RES1 0.0000
19 H2 6.2683 2.2707 6.3415 H 1 RES1 0.0000
20 N3 5.8575 3.1626 3.7572 N.pl3 1 RES1 0.0000
21 H3 5.3690 3.1034 4.4636 H 1 RES1 0.0000
22 N4 -0.7978 4.9850 9.3721 N.2 1 RES1 0.0000
23 C1 2.8906 3.4599 7.1056 C.2 1 RES1 0.0000
24 C2 2.2357 3.1559 8.3262 C.2 1 RES1 0.0000
25 C3 2.9144 2.0814 8.8853 C.2 1 RES1 0.0000
26 H4 2.7007 1.6693 9.7144 H 1 RES1 0.0000
27 C4 3.9566 1.7047 8.0417 C.2 1 RES1 0.0000
28 C5 4.8470 0.6145 8.0359 C.2 1 RES1 0.0000
29 C6 5.8009 0.4035 7.0507 C.2 1 RES1 0.0000
30 C7 6.4643 -0.8001 6.7344 C.2 1 RES1 0.0000
31 H5 6.4152 -1.6052 7.2342 H 1 RES1 0.0000
32 C8 7.1795 -0.6199 5.6076 C.2 1 RES1 0.0000
33 H6 7.7262 -1.2759 5.1916 H 1 RES1 0.0000
34 C9 6.9854 0.7050 5.1425 C.2 1 RES1 0.0000
35 C10 7.4076 1.2637 3.9508 C.2 1 RES1 0.0000
36 C11 6.9351 2.4440 3.3412 C.2 1 RES1 0.0000
37 C12 7.3767 3.0400 2.1466 C.2 1 RES1 0.0000
38 H7 8.1379 2.7717 1.6453 H 1 RES1 0.0000
39 C13 6.5500 4.0535 1.8230 C.2 1 RES1 0.0000
40 H8 6.6212 4.6123 1.0574 H 1 RES1 0.0000
41 C14 5.5465 4.1359 2.8399 C.2 1 RES1 0.0000
42 C15 4.4487 4.9675 2.9122 C.2 1 RES1 0.0000
43 C16 -0.5712 4.1494 10.4280 C.2 1 RES1 0.0000
44 C17 0.5880 3.4064 10.1666 C.2 1 RES1 0.0000
45 H9 0.9703 2.7547 10.7429 H 1 RES1 0.0000
46 C18 1.0794 3.7748 8.9387 C.2 1 RES1 0.0000
47 C19 0.1987 4.7977 8.4591 C.2 1 RES1 0.0000
48 C20 4.6629 -0.4782 9.0268 C.ar 1 RES1 0.0000
49 C21 3.5230 -1.2440 9.0167 C.ar 1 RES1 0.0000
50 C22 3.3084 -2.2518 9.8892 C.ar 1 RES1 0.0000
51 C23 4.2361 -2.5462 10.8007 C.ar 1 RES1 0.0000
52 C24 5.4135 -1.8795 10.8152 C.ar 1 RES1 0.0000
53 C25 5.6080 -0.8507 9.9311 C.ar 1 RES1 0.0000
54 C26 8.3306 0.4200 3.1288 C.ar 1 RES1 0.0000
55 C27 9.5527 0.0130 3.5723 C.ar 1 RES1 0.0000
56 C28 10.3630 -0.8418 2.8443 C.ar 1 RES1 0.0000
57 C29 9.9559 -1.2700 1.6294 C.ar 1 RES1 0.0000
58 C30 8.7381 -0.8879 1.1441 C.ar 1 RES1 0.0000
59 C31 7.9364 -0.0723 1.8894 C.ar 1 RES1 0.0000
60 C32 4.1360 5.8329 1.7623 C.ar 1 RES1 0.0000
61 C33 3.8402 5.3066 0.5186 C.ar 1 RES1 0.0000
62 C34 3.5928 6.1212 -0.5706 C.ar 1 RES1 0.0000
63 C35 3.5724 7.4478 -0.4261 C.ar 1 RES1 0.0000
64 C36 3.8262 8.0096 0.7772 C.ar 1 RES1 0.0000
65 C37 4.1218 7.2000 1.8345 C.ar 1 RES1 0.0000
66 F1A 0.4107 10.1415 6.3516 F 1 RES1 0.0000
67 F2A 0.8130 12.1036 4.5936 F 1 RES1 0.0000
68 F3A -1.0466 12.6706 2.7562 F 1 RES1 0.0000
69 F4A -3.3616 11.3274 2.7489 F 1 RES1 0.0000
70 F5A -3.7771 9.3096 4.4535 F 1 RES1 0.0000
71 F6A -7.0049 8.7030 9.6837 F 1 RES1 0.0000
72 F7A -8.5328 10.3677 11.0983 F 1 RES1 0.0000
73 F8A -7.7420 11.2045 13.5372 F 1 RES1 0.0000
74 F9A -5.3290 10.4738 14.4922 F 1 RES1 0.0000
75 F10A -3.7477 8.9049 13.0513 F 1 RES1 0.0000
76 F11A -0.8217 5.1471 14.1101 F 1 RES1 0.0000
77 F12A -0.3622 3.5701 16.2162 F 1 RES1 0.0000
78 F13A -0.3348 0.8884 15.9418 F 1 RES1 0.0000
79 F14A -0.8375 -0.2120 13.5323 F 1 RES1 0.0000
80 F15A -1.4640 1.3335 11.4594 F 1 RES1 0.0000
81 N1A -0.9288 6.5577 7.4364 N.pl3 1 RES1 0.0000
82 H1A -1.3615 6.7013 8.2482 H 1 RES1 0.0000
83 N2A -3.1565 7.8118 8.3826 N.pl3 1 RES1 0.0000
84 H2A -3.2744 6.8605 8.1038 H 1 RES1 0.0000
85 N3A -2.8636 5.9687 10.6880 N.pl3 1 RES1 0.0000
86 H3A -2.3751 6.0279 9.9817 H 1 RES1 0.0000
87 N4A 3.7917 4.1463 5.0732 N.2 1 RES1 0.0000
88 C1A 0.1033 5.6714 7.3396 C.2 1 RES1 0.0000
89 C2A 0.7582 5.9754 6.1190 C.2 1 RES1 0.0000
90 C3A 0.0795 7.0499 5.5600 C.2 1 RES1 0.0000
91 H4A 0.2932 7.4620 4.7308 H 1 RES1 0.0000
92 C4A -0.9626 7.4266 6.4036 C.2 1 RES1 0.0000
93 C5A -1.8531 8.5168 6.4094 C.2 1 RES1 0.0000
94 C6A -2.8069 8.7278 7.3945 C.2 1 RES1 0.0000
95 C7A -3.4704 9.9314 7.7109 C.2 1 RES1 0.0000
96 H5A -3.4213 10.7365 7.2111 H 1 RES1 0.0000
97 C8A -4.1856 9.7512 8.8376 C.2 1 RES1 0.0000
98 H6A -4.7323 10.4072 9.2536 H 1 RES1 0.0000
99 C9A -3.9915 8.4263 9.3027 C.2 1 RES1 0.0000
100 C10A -4.4137 7.8676 10.4945 C.2 1 RES1 0.0000
101 C11A -3.9412 6.6873 11.1041 C.2 1 RES1 0.0000
102 C12A -4.3827 6.0913 12.2987 C.2 1 RES1 0.0000
103 H7A -5.1440 6.3596 12.7999 H 1 RES1 0.0000
104 C13A -3.5561 5.0777 12.6223 C.2 1 RES1 0.0000
105 H8A -3.6273 4.5190 13.3879 H 1 RES1 0.0000
106 C14A -2.5525 4.9954 11.6053 C.2 1 RES1 0.0000
107 C15A -1.4548 4.1638 11.5331 C.2 1 RES1 0.0000
108 C16A 3.5651 4.9819 4.0172 C.2 1 RES1 0.0000
109 C17A 2.4059 5.7249 4.2787 C.2 1 RES1 0.0000
110 H9A 2.0236 6.3766 3.7023 H 1 RES1 0.0000
111 C18A 1.9145 5.3565 5.5065 C.2 1 RES1 0.0000
112 C19A 2.7952 4.3336 5.9861 C.2 1 RES1 0.0000
113 C20A -1.6690 9.6095 5.4184 C.ar 1 RES1 0.0000
114 C21A -0.5291 10.3753 5.4285 C.ar 1 RES1 0.0000
115 C22A -0.3145 11.3831 4.5560 C.ar 1 RES1 0.0000
116 C23A -1.2421 11.6775 3.6445 C.ar 1 RES1 0.0000
117 C24A -2.4196 11.0108 3.6301 C.ar 1 RES1 0.0000
118 C25A -2.6140 9.9820 4.5141 C.ar 1 RES1 0.0000
119 C26A -5.3366 8.7113 11.3164 C.ar 1 RES1 0.0000
120 C27A -6.5588 9.1183 10.8729 C.ar 1 RES1 0.0000
121 C28A -7.3690 9.9731 11.6010 C.ar 1 RES1 0.0000
122 C29A -6.9619 10.4012 12.8158 C.ar 1 RES1 0.0000
123 C30A -5.7442 10.0192 13.3012 C.ar 1 RES1 0.0000
124 C31A -4.9425 9.2035 12.5558 C.ar 1 RES1 0.0000
125 C32A -1.1421 3.2984 12.6829 C.ar 1 RES1 0.0000
126 C33A -0.8463 3.8247 13.9267 C.ar 1 RES1 0.0000
127 C34A -0.5989 3.0101 15.0158 C.ar 1 RES1 0.0000
128 C35A -0.5785 1.6835 14.8714 C.ar 1 RES1 0.0000
129 C36A -0.8322 1.1217 13.6681 C.ar 1 RES1 0.0000
130 C37A -1.1279 1.9313 12.6107 C.ar 1 RES1 0.0000
@<TRIPOS>BOND
1 1 49 1
2 2 50 1
3 3 51 1
4 4 52 1
5 5 53 1
6 6 55 1
7 7 56 1
8 8 57 1
9 9 58 1
10 10 59 1
11 11 61 1
12 12 62 1
13 13 63 1
14 14 64 1
15 15 65 1
16 16 17 1
17 18 19 1
18 20 21 1
19 22 43 1
20 23 16 1
21 24 23 1
22 25 24 2
23 26 25 1
24 27 16 1
25 28 27 2
26 29 18 1
27 30 29 2
28 31 30 1
29 32 30 1
30 33 32 1
31 34 18 1
32 35 34 1
33 36 20 1
34 37 36 1
35 38 37 1
36 39 37 2
37 40 39 1
38 41 20 1
39 42 41 2
40 43 44 1
41 44 45 1
42 46 24 1
43 47 22 2
44 48 28 1
45 49 48 ar
46 50 49 ar
47 51 50 ar
48 52 51 ar
49 53 48 ar
50 54 35 1
51 55 54 ar
52 56 55 ar
53 57 56 ar
54 58 57 ar
55 59 54 ar
56 60 42 1
57 61 60 ar
58 62 61 ar
59 63 62 ar
60 64 63 ar
61 65 60 ar
62 66 114 1
63 67 115 1
64 68 116 1
65 69 117 1
66 70 118 1
67 71 120 1
68 72 121 1
69 73 122 1
70 74 123 1
71 75 124 1
72 76 126 1
73 77 127 1
74 78 128 1
75 79 129 1
76 80 130 1
77 81 82 1
78 83 84 1
79 85 86 1
80 87 108 2
81 88 47 1
82 89 88 2
83 90 89 1
84 91 90 1
85 92 81 1
86 93 92 1
87 94 83 1
88 95 94 1
89 96 95 1
90 97 95 2
91 98 97 1
92 99 83 1
93 100 99 2
94 101 85 1
95 102 101 2
96 103 102 1
97 104 102 1
98 105 104 1
99 106 85 1
100 107 43 2
101 108 42 1
102 109 108 1
103 110 109 1
104 111 89 1
105 112 23 2
106 113 93 1
107 114 113 ar
108 115 114 ar
109 116 115 ar
110 117 116 ar
111 118 113 ar
112 119 100 1
113 120 119 ar
114 121 120 ar
115 122 121 ar
116 123 122 ar
117 124 119 ar
118 125 107 1
119 126 125 ar
120 127 126 ar
121 128 127 ar
122 129 128 ar
123 130 125 ar
124 25 27 1
125 28 29 1
126 32 34 2
127 35 36 2
128 39 41 1
129 44 46 2
130 46 47 1
131 52 53 ar
132 58 59 ar
133 64 65 ar
134 81 88 1
135 87 112 1
136 90 92 2
137 93 94 2
138 97 99 1
139 100 101 1
140 104 106 2
141 106 107 1
142 109 111 2
143 111 112 1
144 117 118 ar
145 123 124 ar
146 129 130 ar
@<TRIPOS>SUBSTRUCTURE
1 RES1 1
@<TRIPOS>CRYSIN
6.3310 15.8020 15.8960 113.3610 94.3250 97.7770 2 1