ATOM 42
1 C8y C 15.7124 -21.1160
2 C8x C 15.7124 -22.5240
3 C8y C 16.9318 -23.2280
4 C8y C 18.1512 -22.5240
5 C8y C 18.1512 -21.1160
6 C8x C 16.9318 -20.4120
7 C1b C 19.3893 -23.2391
8 C1c C 20.6014 -22.5394
9 C1c C 21.7905 -23.2261
10 O1a O 20.6018 -21.3980
11 C8y C 22.9913 -22.5329
12 C8y C 24.1860 -23.2228
13 C8y C 25.4054 -22.5189
14 C8y C 25.4055 -21.1109
15 C8x C 24.2108 -20.4210
16 C8y C 22.9914 -21.1249
17 C1x C 26.6248 -23.2230
18 C1y C 27.8442 -22.5191
19 C1y C 27.8443 -21.1111
20 O2x O 26.6250 -20.4070
21 C8y C 29.0442 -20.4183
22 C8y C 21.7905 -24.6358
23 O1a O 14.4931 -20.4120
24 O1a O 19.3893 -20.4010
25 O1a O 16.9318 -24.6358
26 O1a O 21.7475 -20.4064
27 O1a O 24.1860 -24.6358
28 O1a O 29.0482 -23.2147
29 C8x C 20.5535 -25.3502
30 C8y C 20.5536 -26.7582
31 C8y C 21.7731 -27.4621
32 C8x C 23.0101 -26.7478
33 C8x C 23.0099 -25.3397
34 C8x C 30.2412 -21.1095
35 C8x C 31.4606 -20.4055
36 C8y C 31.4607 -18.9975
37 C8y C 30.2637 -18.3064
38 C8x C 29.0443 -19.0103
39 O1a O 30.2637 -16.8922
40 O1a O 32.6932 -18.2859
41 O1a O 21.7732 -28.8601
42 O1a O 19.3511 -27.4528
BOND 46
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 8 10 1 #Down
11 9 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 11 16 2
18 13 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 14 20 1
23 19 21 1 #Down
24 9 22 1 #Up
25 1 23 1
26 5 24 1
27 3 25 1
28 16 26 1
29 12 27 1
30 18 28 1 #Up
31 22 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 22 33 1
37 21 34 1
38 34 35 2
39 35 36 1
40 36 37 2
41 37 38 1
42 21 38 2
43 37 39 1
44 36 40 1
45 31 41 1
46 30 42 1
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