ATOM 37
1 C1c C 10.2200 -22.8900
2 C1y C 8.1900 -21.8400
3 C7a C 11.4800 -22.2600
4 C1x C 6.9300 -22.5400
5 N1y N 8.1900 -20.4400
6 O7a O 11.4800 -20.8600
7 O6a O 12.6700 -22.9600
8 C1x C 5.7400 -21.8400
9 C1x C 6.9300 -19.7400
10 C1a C 12.6700 -20.1600
11 C1x C 5.7400 -20.4400
12 C8y C 10.2200 -24.2900
13 C8x C 9.0300 -24.9900
14 C8x C 11.4100 -25.0600
15 C8x C 9.0300 -26.3900
16 C8x C 11.4100 -26.4600
17 C8x C 10.2200 -27.0900
18 C7a C 9.3800 -19.7400
19 O6a O 10.5700 -20.4400
20 O7a O 9.3800 -18.3400
21 C1b C 10.5700 -17.6400
22 N5y N 10.5700 -16.2400 #+
23 C8x C 11.7600 -15.5400
24 C8y C 11.7600 -14.1400
25 C8x C 10.5700 -13.4400
26 C8x C 9.3800 -14.1400
27 C8x C 9.3800 -15.5400
28 C5a C 12.9500 -13.4400
29 O5a O 14.1400 -14.1400
30 N1b N 12.9500 -12.0400
31 C1c C 14.1400 -11.3400
32 C1b C 15.3300 -12.0400
33 O1a O 16.5200 -11.3400
34 C6a C 14.1400 -9.9400
35 O6a O 15.3300 -9.2400
36 O6a O 12.9500 -9.2400
37 X Cl 13.3700 -17.0800 #-
BOND 38
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 6 10 1
10 8 11 1
11 9 11 1
12 12 13 2
13 12 14 1
14 13 15 1
15 14 16 2
16 15 17 2
17 16 17 1
18 1 12 1 #Down
19 18 19 2
20 18 5 1
21 18 20 1
22 20 21 1
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 22 27 1
30 24 28 1
31 28 29 2
32 28 30 1
33 30 31 1
34 31 32 1 #Down
35 32 33 1
36 31 34 1
37 34 35 1
38 34 36 2
| 