ATOM 33
1 P1b P 30.0363 -23.7490
2 O2b O 28.6904 -23.7490
3 O2b O 31.3937 -23.7490
4 O1c O 30.0363 -22.3915
5 O1c O 30.0304 -25.1064
6 C1b C 28.6845 -22.3915
7 C1b C 32.0696 -24.9258
8 C1c C 27.5428 -21.7389
9 C1b C 33.4271 -24.9258
10 C1b C 27.5018 -20.3582
11 O1a O 26.3367 -22.3974
12 N1d N 34.1028 -26.0968 #+
13 O7a O 28.6671 -19.6824
14 C1a C 36.0546 -26.0852
15 C1a C 33.2813 -27.6058
16 C1a C 35.1341 -27.6000
17 C7a C 28.6671 -18.3191
18 C1b C 29.8382 -17.6433
19 O6a O 27.4903 -17.6433
20 C1b C 31.0151 -18.3191
21 C1b C 32.1919 -17.6433
22 C1b C 33.3629 -18.3191
23 C1b C 34.5399 -17.6433
24 C1b C 35.7224 -18.3400
25 C1b C 36.9349 -17.6400
26 C1b C 38.1473 -18.3400
27 C1b C 39.3597 -17.6400
28 C1b C 40.5722 -18.3400
29 C1b C 41.7846 -17.6400
30 C1b C 42.9970 -18.3400
31 C1b C 44.2095 -17.6400
32 C1b C 45.4446 -18.3534
33 C1a C 46.6519 -17.6566
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 3 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 8 11 1
11 9 12 1
12 10 13 1
13 12 14 1
14 12 15 1
15 12 16 1
16 13 17 1
17 17 18 1
18 17 19 2
19 18 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
| 
