ATOM 46
1 C1y C 31.3557 -18.0336
2 C1y C 32.0757 -17.0649
3 C1x C 32.3254 -18.8188
4 C1y C 33.2023 -17.7806
5 C1y C 34.0127 -17.0773
6 C1x C 34.9815 -17.7968
7 C1b C 34.4061 -15.5991
8 C8y C 28.3016 -17.3307
9 N4x N 29.4406 -18.9268
10 C8y C 28.3029 -18.5374
11 C8x C 27.2456 -16.7209
12 C8x C 27.2456 -19.1474
13 C8x C 26.2055 -17.3307
14 C8y C 26.2055 -18.5374
15 C8y C 30.1461 -17.9522
16 C8y C 29.4618 -16.9737
17 C1x C 29.8010 -15.8099
18 C1x C 30.9141 -15.3485
19 N1y N 32.0326 -15.9360
20 C1x C 32.8329 -14.3040
21 C1a C 35.7675 -15.2764
22 C2b C 20.3070 -18.2988
23 C1a C 21.1893 -17.2384
24 C1x C 23.4487 -22.2015
25 C1y C 22.2840 -21.6388
26 C1y C 21.9282 -20.1756
27 C1y C 22.5633 -18.9392
28 C1x C 23.8823 -18.5257
29 C1y C 25.1170 -19.1584
30 C8y C 25.5499 -20.4854
31 C8y C 24.9077 -21.7111
32 N4x N 27.0603 -20.7179
33 C8y C 27.1247 -22.0927
34 C8y C 25.8093 -22.7037
35 C8x C 25.7997 -24.0819
36 C8x C 26.9515 -24.8490
37 C8x C 28.1900 -24.2452
38 C8x C 28.2065 -22.8668
39 N1y N 21.0449 -21.9767
40 C1x C 20.2297 -20.8515
41 C2y C 20.8017 -19.3098
42 C7a C 22.8952 -20.1688
43 O7a O 23.2381 -21.4207
44 C1a C 24.5094 -20.6442
45 O6a O 23.6576 -19.3034
46 C1a C 20.6726 -23.4531
BOND 54
1 3 4 1
2 5 6 1
3 22 23 1
4 1 2 1
5 1 3 1
6 2 5 1
7 16 8 1
8 15 9 1
9 8 10 2
10 24 25 1
11 25 26 1 #Up
12 27 26 1 #Up
13 27 28 1
14 28 29 1
15 29 30 1
16 31 24 1
17 8 11 1
18 10 12 1
19 11 13 2
20 30 31 2
21 31 34 1
22 33 32 1
23 32 30 1
24 12 14 2
25 9 10 1
26 13 14 1
27 15 16 2
28 16 17 1
29 15 1 1
30 33 34 2
31 34 35 1
32 35 36 2
33 36 37 1
34 37 38 2
35 38 33 1
36 17 18 1
37 25 39 1
38 18 19 1
39 39 40 1
40 2 19 1
41 40 41 1
42 41 27 1
43 22 41 2
44 14 29 1
45 19 20 1 #Up
46 26 42 1
47 4 20 1 #Up
48 42 43 1
49 4 6 1
50 43 44 1
51 7 21 1
52 42 45 2
53 5 7 1 #Up
54 39 46 1
| 
