ATOM 53
1 C8y C 17.0815 -19.1823
2 C8y C 17.0815 -20.5825
3 C8x C 18.2941 -21.2826
4 C8x C 19.5068 -20.5825
5 C8y C 19.5068 -19.1823
6 C8x C 18.2941 -18.4822
7 C8x C 15.7291 -18.8200
8 C8y C 14.9665 -19.9942
9 N4x N 15.8477 -21.0823
10 N1b N 20.7380 -18.4712
11 C5a C 21.9434 -19.1670
12 O5a O 21.9434 -20.5672
13 C5a C 13.5818 -20.0670
14 N1y N 12.8302 -18.9106
15 O5a O 12.9359 -21.3351
16 C1x C 13.3318 -17.6026
17 C1y C 12.2427 -16.7213
18 C8y C 11.0681 -17.4847
19 C8y C 11.4312 -18.8378
20 C8y C 9.7155 -17.1227
21 C8y C 8.7258 -18.1132
22 C8y C 9.0888 -19.4662
23 C8x C 10.4415 -19.8282
24 C8y C 9.0794 -15.8754
25 C8x C 7.6966 -16.0949
26 N4x N 7.4780 -17.4780
27 C1a C 9.7123 -14.6324
28 O7a O 8.1070 -20.4489
29 C8y C 23.1250 -18.4845
30 O2x O 24.3814 -19.0438
31 C8y C 25.3016 -18.0218
32 C8y C 24.6139 -16.8308
33 C8x C 23.2687 -17.1168
34 C8x C 26.7016 -18.0217
35 C8y C 27.4015 -16.8092
36 C8x C 26.7138 -15.6182
37 C8x C 25.3138 -15.6183
38 N1c N 28.7700 -16.8089
39 C1b C 29.4664 -18.0145
40 C1b C 29.4736 -15.5896
41 C1a C 30.8698 -15.5894
42 C1a C 30.8698 -18.0143
43 C7a C 6.7645 -20.0896
44 N1b N 5.7877 -21.0675
45 O6a O 6.4036 -18.7444
46 C8y C 4.4567 -20.7115
47 C8x C 4.0976 -19.3732
48 C8x C 2.7452 -19.0113
49 C8x C 1.7556 -20.0016
50 C8x C 2.1146 -21.3399
51 C8x C 3.4671 -21.7018
52 C1b C 12.3151 -15.3333
53 X Cl 13.5677 -14.6945
BOND 60
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 2 1
11 5 10 1
12 10 11 1
13 11 12 2
14 8 13 1
15 13 14 1
16 13 15 2
17 14 16 1
18 16 17 1
19 17 18 1
20 18 19 2
21 14 19 1
22 18 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 19 23 1
27 20 24 1
28 24 25 2
29 25 26 1
30 21 26 1
31 24 27 1
32 22 28 1
33 11 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 29 33 2
39 31 34 2
40 34 35 1
41 35 36 2
42 36 37 1
43 32 37 2
44 35 38 1
45 38 39 1
46 38 40 1
47 40 41 1
48 39 42 1
49 28 43 1
50 43 44 1
51 43 45 2
52 44 46 1
53 46 47 2
54 47 48 1
55 48 49 2
56 49 50 1
57 50 51 2
58 46 51 1
59 52 53 1
60 17 52 1 #Down
| 
