ATOM 36
1 C1y C 25.9172 -16.7021
2 C8y C 24.6973 -16.0076
3 N1y N 27.1312 -16.0193
4 C1x C 25.8997 -18.1029
5 C8y C 24.7033 -14.6069
6 C8x C 23.4951 -16.7080
7 C5x C 28.3277 -16.7255
8 C1x C 27.1370 -14.6186
9 C1y C 27.1136 -18.8092
10 C1x C 25.9231 -13.9065
11 C8x C 23.4951 -13.9007
12 C8y C 22.2753 -16.0076
13 C2y C 28.3160 -18.1262
14 O5x O 29.5359 -16.0134
15 C1y C 27.0962 -20.2040
16 C8y C 22.2753 -14.6069
17 O1a O 21.0614 -16.7080
18 C2x C 29.5183 -18.8324
19 C1y C 28.2867 -20.9044
20 C2b C 25.8706 -20.8868
21 O2a O 21.0614 -13.9007
22 O2x O 29.5708 -20.2274
23 O2a O 28.2751 -22.3052
24 C2a C 25.9347 -22.2935
25 C1y C 29.4891 -23.0113
26 O2x O 29.4891 -24.4121
27 C1y C 30.7030 -22.3109
28 C1y C 30.7030 -25.1124
29 C1y C 31.9171 -23.0172
30 O1a O 30.6973 -20.9044
31 C1y C 31.9171 -24.4180
32 C1b C 30.8256 -26.5073
33 O1a O 33.1310 -22.2992
34 O1a O 33.1193 -25.1124
35 O1a O 31.8995 -27.2136
36 C1a C 19.8498 -14.5950
BOND 40
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 7 14 2
14 9 15 1
15 11 16 2
16 12 17 1
17 13 18 2
18 15 19 1
19 15 20 1 #Down
20 16 21 1
21 18 22 1
22 19 23 1 #Up
23 20 24 2
24 25 23 1 #Up
25 25 26 1
26 25 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 28 32 1 #Up
32 29 33 1 #Up
33 31 34 1 #Down
34 32 35 1
35 8 10 1
36 9 13 1
37 12 16 1
38 19 22 1
39 29 31 1
40 21 36 1
| 
