ATOM 41
1 X Cl 35.5576 -25.8410
2 C1x C 18.9700 -24.9900
3 C1x C 18.9700 -26.3900
4 C2y C 20.1824 -27.0900
5 C2y C 21.3949 -26.3900
6 C1x C 21.3949 -24.9900
7 N1y N 20.1824 -24.2900
8 C1z C 20.1824 -28.4900
9 O2x O 21.3949 -29.1900
10 C8y C 22.6073 -28.4900
11 C8y C 22.6073 -27.0900
12 C8x C 23.8197 -29.1900
13 C8y C 25.0322 -28.4900
14 C8x C 25.0322 -27.0900
15 C8y C 23.8197 -26.3900
16 C1a C 18.9533 -29.1998
17 C1a C 20.1824 -29.8900
18 C1b C 20.1824 -22.8902
19 C3b C 18.9532 -22.1803
20 O7a O 23.8197 -24.9901
21 C7a C 25.0174 -24.2986
22 C1b C 26.2055 -24.9847
23 O6a O 25.0175 -22.8903
24 C1b C 27.3964 -24.2970
25 C1b C 28.5860 -24.9838
26 N1y N 29.7762 -24.2966
27 C1x C 30.9661 -24.9836
28 C1x C 32.1786 -24.2836
29 C1x C 32.1786 -22.8836
30 C1x C 30.9887 -22.1966
31 C1x C 29.7762 -22.8966
32 C1c C 26.2653 -29.2022
33 C1c C 27.4715 -28.5060
34 C1b C 28.6533 -29.1885
35 C1b C 29.8476 -28.4990
36 C1b C 31.0353 -29.1849
37 C1b C 32.2266 -28.4972
38 C1a C 33.4159 -29.1840
39 C1a C 26.2650 -30.5899
40 C1a C 27.4720 -27.0904
41 C3a C 17.7408 -21.4803
BOND 43
1 2 3 1
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 1
6 2 7 1
7 4 8 1
8 8 9 1
9 9 10 1
10 10 11 2
11 5 11 1
12 10 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 11 15 1
17 8 16 1
18 8 17 1
19 7 18 1
20 18 19 1
21 15 20 1
22 20 21 1
23 21 22 1
24 21 23 2
25 22 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 26 31 1
34 13 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 32 39 1
42 33 40 1
43 19 41 3
|