ATOM 40
1 C8y C 28.2750 -28.7116
2 C8y C 27.0607 -28.0110
3 C8y C 28.2633 -30.1187
4 O2x O 29.4894 -28.0110
5 C1y C 27.0957 -26.6098
6 C8y C 25.8405 -28.7116
7 C8y C 27.0607 -30.8134
8 C8y C 29.4777 -30.8191
9 C8y C 30.6979 -28.7233
10 C1y C 25.9747 -25.8801
11 O2x O 28.3217 -25.9502
12 C8y C 25.8405 -30.1187
13 O1a O 24.6262 -28.0052
14 O1a O 27.0607 -32.2203
15 C8x C 30.7620 -30.1302
16 O5x O 29.4718 -32.2263
17 C8y C 31.9181 -28.0227
18 C1y C 25.9397 -24.4906
19 O1a O 24.6787 -26.5516
20 C1x C 28.3627 -24.5490
21 C1y C 24.6320 -30.8134
22 C8x C 31.9181 -26.6215
23 C8x C 33.1267 -28.7350
24 C1y C 27.1716 -23.8193
25 O1a O 24.7488 -23.7609
26 O2x O 23.4234 -30.1187
27 C1y C 24.6320 -32.2146
28 C8x C 33.1383 -25.9326
29 C8x C 34.3467 -28.0403
30 O1a O 27.2066 -22.4238
31 C1y C 22.2092 -30.8134
32 C1y C 23.4234 -32.9092
33 O1a O 25.8405 -32.9092
34 C8y C 34.3526 -26.6332
35 C1y C 22.2092 -32.2146
36 C1b C 21.0006 -30.1187
37 O1a O 23.4234 -34.3047
38 O1a O 35.5728 -25.9385
39 O1a O 21.0006 -32.9092
40 O1a O 19.7921 -30.8134
BOND 44
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Down
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 10 19 1 #Down
19 11 20 1
20 21 12 1 #Up
21 17 22 1
22 17 23 2
23 18 24 1
24 18 25 1 #Up
25 21 26 1
26 21 27 1
27 22 28 2
28 23 29 1
29 24 30 1 #Up
30 26 31 1
31 27 32 1
32 27 33 1 #Down
33 28 34 1
34 31 35 1
35 31 36 1 #Up
36 32 37 1 #Up
37 34 38 1
38 35 39 1 #Down
39 36 40 1
40 7 12 2
41 9 15 2
42 20 24 1
43 29 34 2
44 32 35 1
| 
