ATOM 27
1 C1z C 26.5008 -14.4006
2 C1y C 25.3255 -13.7106
3 O2x O 26.4891 -13.0149
4 C7x C 26.5008 -15.7688
5 C1x C 27.6877 -13.7106
6 C1a C 24.1269 -14.4006
7 O7x O 27.6877 -16.4470
8 O6a O 25.3255 -16.4530
9 C1y C 28.8806 -14.4006
10 C1y C 27.6877 -17.8035
11 C1z C 30.0616 -13.7165
12 C1a C 28.8747 -15.4888
13 C5x C 28.8630 -18.4877
14 C1x C 26.5767 -18.9964
15 C7x C 31.2428 -14.4065
16 C1a C 29.3659 -12.5237
17 O1a O 30.4124 -12.3892
18 C2y C 30.0499 -17.8212
19 O5x O 28.8455 -17.1195
20 C1x C 27.6000 -20.1834
21 O7x O 31.2368 -15.7805
22 O6a O 32.4297 -13.7106
23 C1x C 30.0499 -16.4530
24 C2x C 31.0732 -18.9964
25 N1y N 28.8806 -19.5460
26 C1x C 30.1259 -20.1834
27 C1a C 28.8689 -20.9259
BOND 29
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 1 5 1
5 2 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 10 7 1 #Up
10 9 11 1
11 9 12 1 #Down
12 10 13 1
13 10 14 1
14 11 15 1
15 11 16 1 #Down
16 11 17 1 #Up
17 13 18 1
18 13 19 2
19 14 20 1
20 15 21 1
21 15 22 2
22 18 23 1
23 18 24 2
24 20 25 1
25 24 26 1
26 25 27 1
27 2 3 1 #Up
28 21 23 1
29 25 26 1
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