ATOM 44
1 C1y C 10.6416 -15.4011
2 C1y C 10.6416 -16.8012
3 C1y C 11.8541 -17.5012
4 C1y C 13.0667 -16.8012
5 C1y C 13.0667 -15.4011
6 O2x O 11.8541 -14.7011
7 S2a S 14.2805 -14.7003
8 C1a C 14.2805 -13.3009
9 O7a O 14.2825 -17.5023
10 C7a C 15.4952 -16.8023
11 C1b C 16.7079 -17.5023
12 C1b C 17.9205 -16.8023
13 C1b C 19.1331 -17.5023
14 C1b C 20.3458 -16.8023
15 C1b C 21.5584 -17.5023
16 C1b C 22.7710 -16.8023
17 C1b C 23.9836 -17.5023
18 C1b C 25.1962 -16.8023
19 C1b C 26.4088 -17.5023
20 C1b C 27.6214 -16.8023
21 C1b C 28.8340 -17.5023
22 C1b C 30.0466 -16.8023
23 C1b C 31.2593 -17.5023
24 C1b C 32.4718 -16.8023
25 C1a C 33.6846 -17.5023
26 O1a O 11.8541 -18.9026
27 O1a O 9.4295 -17.5009
28 C1c C 9.4304 -14.7018
29 N1b N 8.2170 -15.4023
30 C1c C 9.4304 -13.3017
31 X Cl 8.2171 -12.6012
32 C1a C 10.6423 -12.6020
33 C5a C 7.0033 -14.7020
34 C1y C 5.7906 -15.4020
35 O5a O 7.0031 -13.3017
36 N1y N 4.5099 -14.8319
37 C1x C 3.5720 -15.8736
38 C1y C 4.2728 -17.0877
39 C1x C 5.6441 -16.7962
40 C1a C 4.2218 -13.4758
41 C1b C 3.7093 -18.3540
42 C1b C 2.2975 -18.5028
43 C1a C 1.7342 -19.7685
44 O6a O 15.4952 -15.3995
BOND 45
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 5 7 1 #Down
8 7 8 1
9 4 9 1 #Down
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 3 26 1 #Up
27 2 27 1 #Up
28 1 28 1
29 28 29 1
30 28 30 1
31 30 31 1 #Up
32 30 32 1
33 29 33 1
34 34 33 1 #Down
35 33 35 2
36 34 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 34 39 1
41 36 40 1
42 38 41 1 #Up
43 41 42 1
44 42 43 1
45 10 44 2
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