ATOM 38
1 N1x N 24.5870 -15.6955
2 C5x C 24.5870 -17.0972
3 C1x C 25.8008 -17.7980
4 C5x C 27.0147 -15.6955
5 C1y C 25.8008 -14.9947
6 C1y C 25.8008 -19.1996
7 C8y C 24.5703 -19.9102
8 N1x N 27.2024 -19.1996
9 C1y C 28.3938 -19.9004
10 C5x C 29.6077 -19.1996
11 O5x O 23.3732 -17.7980
12 C8x C 23.3648 -19.2143
13 C8x C 22.1510 -19.9151
14 C8x C 22.1510 -21.3168
15 C8x C 23.3565 -22.0128
16 C8x C 24.5703 -21.3119
17 C1b C 25.8008 -13.5933
18 N1y N 28.2473 -14.9837
19 C1y C 29.6489 -14.9837
20 C5x C 30.8627 -15.6845
21 N1x N 30.8627 -17.0862
22 C1y C 32.1050 -17.8034
23 C5x C 32.1050 -19.2050
24 N1x N 30.8792 -19.9129
25 C1y C 30.0820 -13.6507
26 C1y C 28.9481 -12.8268
27 C1x C 27.8142 -13.6507
28 X Cl 28.9482 -11.4207
29 X Cl 31.3855 -13.2273
30 O5x O 27.0147 -17.0972
31 C1b C 28.3938 -21.3021
32 O5x O 29.5991 -17.9386
33 O5x O 33.3020 -19.8961
34 C1b C 33.3065 -17.1095
35 C1a C 34.4930 -17.7944
36 O1a O 24.5702 -12.8827
37 O5x O 32.0951 -14.9726
38 O1a O 27.1633 -22.0127
BOND 40
1 1 2 1
2 2 3 1
3 4 5 1
4 1 5 1
5 3 6 1
6 6 7 1 #Up
7 6 8 1
8 8 9 1
9 9 10 1
10 2 11 2
11 7 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 7 16 1
17 5 17 1 #Up
18 4 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 10 1
26 19 25 1
27 25 26 1
28 26 27 1
29 18 27 1
30 26 28 1
31 25 29 1
32 4 30 2
33 9 31 1 #Down
34 10 32 2
35 23 33 2
36 22 34 1 #Up
37 34 35 1
38 17 36 1
39 20 37 2
40 31 38 1
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