ATOM 45
1 C1y C 18.9000 -14.4200
2 C1y C 18.9000 -15.8200
3 C1y C 20.1124 -16.5200
4 C1y C 21.3249 -15.8200
5 C1y C 21.3249 -14.4200
6 O2x O 20.1124 -13.7200
7 C1x C 17.6876 -13.7200
8 O7a O 22.5560 -13.7090
9 O7x O 20.1124 -17.9198
10 O1a O 17.6876 -16.5200
11 O1a O 22.5560 -16.5310
12 C7a C 23.7524 -13.0200
13 C8y C 24.9649 -13.7200
14 O6a O 23.7532 -11.6202
15 C8x C 24.9649 -15.1198
16 C8y C 26.1773 -15.8198
17 C8y C 27.3897 -15.1198
18 C8y C 27.3897 -13.7200
19 C8x C 26.1773 -13.0200
20 O1a O 28.5873 -13.0285
21 O1a O 28.5874 -15.8114
22 O1a O 26.1773 -17.2200
23 C7x C 18.8832 -18.6297
24 O6a O 17.6792 -17.9346
25 C8y C 18.8834 -20.0199
26 C8y C 17.6835 -20.7130
27 C8y C 17.6838 -22.1130
28 C8y C 18.8964 -22.8127
29 C8y C 20.0963 -22.1196
30 C8x C 20.0960 -20.7196
31 O1a O 18.8967 -24.2200
32 O1a O 21.3043 -22.8168
33 O1a O 16.4884 -22.8038
34 O7x O 16.4921 -14.4104
35 C7x C 15.3047 -13.7249
36 C8y C 14.1135 -14.4129
37 O6a O 15.3045 -12.3202
38 C8x C 12.9240 -13.7262
39 C8y C 11.7116 -14.4262
40 C8y C 11.7116 -15.8262
41 C8y C 12.9011 -16.5129
42 C8y C 14.1135 -15.8129
43 O1a O 10.4803 -13.7153
44 O1a O 10.4859 -16.5342
45 O1a O 12.9013 -17.9198
BOND 49
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Up
8 5 8 1 #Up
9 3 9 1 #Up
10 2 10 1 #Down
11 4 11 1 #Down
12 8 12 1
13 12 13 1
14 12 14 2
15 13 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 13 19 1
21 18 20 1
22 17 21 1
23 16 22 1
24 9 23 1
25 23 24 2
26 23 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 25 30 1
33 28 31 1
34 29 32 1
35 27 33 1
36 7 34 1
37 34 35 1
38 35 36 1
39 35 37 2
40 36 38 2
41 38 39 1
42 39 40 2
43 40 41 1
44 41 42 2
45 36 42 1
46 39 43 1
47 40 44 1
48 41 45 1
49 42 26 1
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