ATOM 46
1 C1y C 28.6078 -18.8397
2 C1y C 27.4014 -18.1403
3 O2a O 28.6019 -20.2383
4 C1y C 29.8199 -18.1461
5 C1y C 27.4014 -16.7417
6 O7a O 26.1892 -18.8397
7 C1y C 27.3955 -20.9376
8 C1y C 29.8199 -16.7474
9 O1a O 31.0319 -18.8397
10 O2x O 28.6078 -16.0423
11 C1b C 26.1892 -16.0364
12 C7a C 24.9771 -18.1403
13 O2x O 26.1775 -20.2324
14 C1y C 27.3955 -22.3420
15 O2a O 31.0378 -16.0423
16 O1a O 26.1892 -14.6379
17 C2b C 23.7708 -18.8397
18 O6a O 24.9771 -16.7417
19 C1y C 24.9595 -20.9376
20 C1y C 26.1835 -23.0414
21 O1a O 28.6078 -23.0354
22 C1b C 32.2442 -16.7417
23 C2b C 22.5587 -18.1403
24 C1y C 24.9595 -22.3420
25 C1b C 23.7475 -20.2383
26 O1a O 26.1835 -24.4400
27 C1c C 33.4563 -16.0364
28 C8y C 21.3524 -18.8397
29 O1a O 23.7475 -23.0414
30 O1a O 22.5295 -20.9434
31 C8y C 34.6685 -16.7300
32 O1a O 33.4563 -14.6320
33 C8x C 20.1401 -18.1403
34 C8x C 21.3524 -20.2383
35 C8x C 34.6626 -18.1344
36 C8x C 35.8865 -16.0364
37 C8y C 18.9221 -18.8397
38 C8x C 20.1401 -20.9434
39 C8x C 35.8748 -18.8337
40 C8y C 37.0986 -16.7417
41 C8y C 18.9221 -20.2383
42 O1a O 17.7158 -18.1403
43 C8y C 37.0928 -18.1461
44 O1a O 17.7158 -20.9434
45 O1a O 38.2932 -18.8513
46 O1a O 38.3086 -16.0491
BOND 49
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1
13 7 14 1
14 8 15 1 #Up
15 11 16 1
16 12 17 1
17 12 18 2
18 13 19 1
19 14 20 1
20 14 21 1 #Down
21 15 22 1
22 17 23 2
23 19 24 1
24 19 25 1 #Up
25 20 26 1 #Up
26 22 27 1
27 23 28 1
28 24 29 1 #Down
29 25 30 1
30 27 31 1
31 27 32 1 #Up
32 28 33 1
33 28 34 2
34 31 35 1
35 31 36 2
36 33 37 2
37 34 38 1
38 35 39 2
39 36 40 1
40 37 41 1
41 37 42 1
42 39 43 1
43 41 44 1
44 43 45 1
45 8 10 1
46 20 24 1
47 38 41 2
48 40 43 2
49 40 46 1
| 
