ATOM 28
1 N1c N 28.8487 -18.0253
2 C8y C 30.0587 -18.7267
3 C8y C 28.8487 -16.6222
4 C1b C 27.6325 -18.7267
5 C8x C 30.0587 -20.1232
6 C8x C 31.2621 -18.0316
7 C8x C 30.1287 -15.9208
8 C8x C 27.6390 -15.9272
9 C1b C 26.4225 -18.0253
10 C8x C 31.2686 -20.8311
11 C8x C 32.4785 -18.7203
12 C8x C 30.0715 -14.5243
13 C8x C 27.6325 -14.5308
14 C1b C 25.2128 -18.7267
15 C8y C 32.4785 -20.1232
16 C8y C 28.8487 -13.8293
17 C1c C 23.9963 -18.0253
18 N2b N 33.6948 -20.8182 #+
19 N2b N 28.8424 -12.4264 #+
20 C7a C 23.9963 -16.6222
21 N1a N 22.7866 -18.7267
22 O3a O 35.2482 -20.1232
23 O3a O 33.7012 -22.2277 #-
24 O3a O 27.5625 -11.3811
25 O3a O 30.3387 -11.3685 #-
26 O7a O 25.2128 -15.9272
27 O6a O 22.7800 -15.9272
28 C1a C 25.2191 -14.5308
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 2
10 6 11 1
11 7 12 2
12 8 13 1
13 9 14 1
14 10 15 1
15 12 16 1
16 14 17 1
17 15 18 1
18 16 19 1
19 17 20 1
20 17 21 1 #Down
21 18 22 2
22 18 23 1
23 19 24 2
24 19 25 1
25 20 26 1
26 20 27 2
27 26 28 1
28 11 15 2
29 13 16 2
|