ATOM 25
1 C8y C 16.1735 -17.2543
2 C8y C 16.1735 -18.6629
3 C8x C 17.3933 -19.3671
4 C8x C 18.6132 -18.6629
5 C8y C 18.6132 -17.2543
6 C8x C 17.3933 -16.5500
7 X Cl 14.9537 -19.3671
8 C2c C 19.8519 -16.5390
9 N2b N 21.0644 -17.2389
10 C1a C 19.8516 -15.1416
11 O2a O 22.2539 -16.5519
12 C1b C 23.4552 -17.2455
13 C8y C 24.6504 -16.5553
14 C8x C 25.8488 -17.2472
15 C8x C 27.0687 -16.5429
16 C8x C 27.0687 -15.1343
17 C8y C 25.8703 -14.4424
18 N5x N 24.6505 -15.1467
19 C1a C 25.8703 -13.0289
20 C1b C 14.9537 -16.5500
21 N1b N 13.7509 -17.2447
22 C7a C 12.5563 -16.5550
23 O7a O 11.3578 -17.2472
24 O6a O 12.5561 -15.1417
25 C1a C 10.1610 -16.5563
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 5 8 1
9 8 9 2
10 8 10 1
11 9 11 1
12 11 12 1
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 17 19 1
21 1 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 22 24 2
26 23 25 1
|