ATOM 40
1 C5a C 29.5227 -15.4232
2 C8y C 30.7290 -16.1275
3 O5a O 29.5227 -14.0269
4 C8x C 30.7347 -17.5296
5 C8x C 31.9366 -15.4290
6 C8y C 31.9424 -18.2271
7 C8x C 33.1487 -16.1218
8 C8y C 33.1546 -17.5238
9 C1b C 31.9424 -19.6221
10 O1a O 34.3609 -18.2084
11 C2b C 33.1546 -20.3268
12 C2c C 33.1546 -21.7229
13 C1a C 34.3609 -22.4203
14 C1a C 31.9424 -22.4203
15 N1b N 28.2954 -16.1326
16 O2a O 20.8356 -13.4638
17 C1y C 19.6504 -14.1470
18 C1y C 19.6504 -15.5326
19 O2x O 18.4476 -13.4638
20 C1y C 18.4476 -16.2348
21 O1a O 20.6024 -16.3580
22 C1z C 17.2695 -14.1470
23 C1y C 17.2695 -15.5326
24 O1a O 18.4476 -17.6087
25 C1a C 16.4426 -12.7197
26 C1a C 15.8477 -14.4241
27 O1a O 16.0711 -16.2175
28 C8y C 24.4090 -14.1413
29 C8y C 24.4090 -15.5268
30 C8y C 23.2050 -13.4579
31 O7x O 25.6117 -13.4405
32 C8y C 25.6176 -16.2232
33 C8x C 23.2050 -16.2289
34 C8y C 22.0139 -14.1413
35 X Cl 23.2693 -12.0898
36 C8y C 26.8202 -14.1297
37 C8y C 26.8319 -15.5326
38 O1a O 25.6176 -17.5971
39 C8x C 22.0139 -15.5268
40 O6a O 28.0056 -13.4463
BOND 43
1 9 11 1
2 11 12 2
3 12 13 1
4 12 14 1
5 7 8 2
6 1 15 1
7 1 2 1
8 1 3 2
9 2 4 1
10 2 5 2
11 4 6 2
12 5 7 1
13 6 8 1
14 6 9 1
15 8 10 1
16 17 18 1
17 17 19 1
18 18 20 1
19 18 21 1 #Down
20 19 22 1
21 20 23 1
22 20 24 1 #Down
23 22 25 1
24 22 26 1
25 23 27 1 #Up
26 22 23 1
27 17 16 1 #Up
28 28 29 2
29 28 30 1
30 28 31 1
31 29 32 1
32 29 33 1
33 30 34 2
34 30 35 1
35 31 36 1
36 32 37 2
37 32 38 1
38 33 39 2
39 34 16 1
40 36 40 2
41 37 15 1
42 34 39 1
43 36 37 1
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