ATOM 41
1 C1z C 36.9070 -14.7414
2 C1x C 36.1954 -13.5224
3 C1x C 35.5014 -14.7530
4 C1b C 36.9070 -16.1352
5 C1b C 38.1143 -14.0415
6 S2a S 35.6939 -16.8411
7 C1c C 35.6997 -18.2409
8 C8y C 34.4983 -18.9406
9 C1b C 36.9127 -18.9348
10 C8x C 33.2793 -18.2466
11 C8x C 34.4983 -20.3463
12 C1b C 38.1201 -18.2349
13 C8y C 32.0720 -18.9523
14 C8x C 33.2850 -21.0520
15 C8y C 39.3333 -18.9232
16 C2b C 30.8530 -18.2583
17 C8x C 32.0660 -20.3463
18 C8y C 39.3391 -20.3230
19 C8x C 40.5406 -18.2292
20 C2b C 29.6397 -18.9523
21 C8x C 40.5464 -21.0169
22 C1d C 38.1201 -21.0286
23 C8x C 41.7537 -18.9174
24 C8y C 28.4441 -18.2583
25 C8x C 41.7537 -20.3113
26 C1a C 36.9070 -21.7168
27 N5x N 27.2253 -18.9523
28 C8x C 28.4500 -16.8585
29 C8y C 26.0120 -18.2466
30 C8x C 27.2369 -16.1469
31 C8y C 26.0180 -16.8468
32 C8x C 24.8047 -18.9465
33 C8x C 24.8047 -16.1412
34 C8y C 23.5857 -18.2466
35 C8x C 23.5857 -16.8468
36 X Cl 22.3727 -18.9465
37 C6a C 39.3132 -14.7328
38 O6a O 40.5597 -14.0127
39 O6a O 39.3143 -16.0998
40 C1a C 38.8112 -22.2340
41 O1a O 37.4191 -19.8059
BOND 45
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 4 6 1
6 7 6 1 #Down
7 7 8 1
8 7 9 1
9 8 10 2
10 8 11 1
11 9 12 1
12 10 13 1
13 11 14 2
14 12 15 1
15 13 16 1
16 13 17 2
17 15 18 2
18 15 19 1
19 16 20 2
20 18 21 1
21 18 22 1
22 19 23 2
23 20 24 1
24 21 25 2
25 22 26 1
26 24 27 2
27 24 28 1
28 27 29 1
29 28 30 2
30 29 31 2
31 29 32 1
32 31 33 1
33 32 34 2
34 33 35 2
35 34 36 1
36 2 3 1
37 14 17 1
38 23 25 1
39 30 31 1
40 34 35 1
41 5 37 1
42 37 38 1
43 37 39 2
44 22 40 1
45 22 41 1
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