ATOM 27
1 N4y N 29.0043 -15.0163
2 C8y C 30.0699 -15.7560
3 C1y C 27.7172 -15.4356
4 C8x C 29.4819 -13.6186
5 C8y C 31.3046 -14.8474
6 N5x N 30.2039 -17.1827
7 O2x O 26.5759 -14.5855
8 C1y C 27.2805 -16.6935
9 N5x N 30.9319 -13.6245
10 C8y C 32.5625 -15.4066
11 C8x C 31.5316 -17.7709
12 C1y C 25.4694 -15.3774
13 C1y C 25.9004 -16.6935
14 O1a O 28.0900 -17.8292
15 N5x N 32.7197 -16.8916
16 N1a N 33.6690 -14.5796
17 C1b C 24.1474 -14.9465
18 O1a O 25.4519 -18.0097
19 O2b O 23.1108 -15.8783
20 P1b P 21.7133 -15.8783
21 O2c O 20.3214 -15.8783
22 O1c O 21.7074 -17.2700
23 O1c O 21.7074 -14.4863
24 P1b P 18.9297 -15.8724
25 O1c O 18.9237 -17.2643
26 O1c O 17.5377 -15.8724
27 O1c O 18.9237 -14.4747
BOND 29
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 21 24 1
24 24 25 1
25 24 26 1
26 24 27 2
27 5 9 1
28 11 15 1
29 12 13 1
|