ATOM 33
1 C8x C 16.9531 -15.6229
2 C8x C 16.9531 -17.0243
3 C8x C 18.1667 -17.7250
4 C8y C 19.3803 -17.0243
5 C8y C 19.3803 -15.6229
6 C8y C 18.1667 -14.9223
7 C5x C 20.5939 -17.7250
8 C2y C 21.8075 -17.0243
9 C2y C 21.8075 -15.6229
10 C5x C 20.5939 -14.9223
11 C2y C 23.1403 -17.4573
12 C2y C 23.9641 -16.3236
13 C2y C 23.1403 -15.1899
14 C1y C 23.7105 -18.7376
15 C1y C 25.1041 -18.8840
16 C1z C 25.9278 -17.7503
17 C1y C 25.3579 -16.4701
18 O5x O 20.5939 -13.5209
19 O5x O 20.5939 -19.1264
20 O1a O 22.8913 -19.8645
21 N0 N 23.5675 -13.8748 #+
22 N2a N 23.9302 -12.5212 #-
23 O1a O 18.1667 -13.5223
24 O7a O 26.3478 -15.4802
25 C7a C 27.7478 -15.4802
26 C1a C 28.4478 -14.2677
27 O6a O 28.4478 -16.6926
28 O1a O 27.3278 -17.7503
29 C1a C 26.6278 -18.9628
30 O7a O 25.8041 -20.0965
31 C7a C 24.8141 -21.0864
32 C1a C 25.1765 -22.4387
33 O6a O 23.4618 -20.7241
BOND 36
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 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 9 13 1
16 11 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 10 18 2
22 7 19 2
23 14 20 1 #Up
24 13 21 2
25 21 22 2
26 6 23 1
27 17 24 1 #Up
28 24 25 1
29 25 26 1
30 25 27 2
31 16 28 1 #Up
32 16 29 1 #Down
33 15 30 1 #Down
34 30 31 1
35 31 32 1
36 31 33 2
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