ATOM 31
1 C1y C 22.4061 -12.0298
2 C1y C 21.0006 -12.0224
3 C1z C 23.6233 -12.7340
4 O2x O 23.6148 -11.3241
5 C1y C 19.7755 -12.7106
6 O2x O 19.7907 -11.3076
7 C1x C 23.9711 -14.0919
8 C1a C 24.8376 -12.0383
9 C2y C 19.4161 -14.0273
10 C1y C 23.6001 -15.4353
11 C2x C 19.7668 -15.3903
12 C1b C 18.0210 -14.0141
13 C1y C 22.3668 -16.1213
14 O7a O 24.8123 -16.1408
15 C1y C 20.9717 -16.1081
16 C2y C 22.7762 -17.4577
17 C7a C 26.0290 -15.4478
18 O7x O 20.5212 -17.4295
19 C7x C 21.6300 -18.2620
20 C2a C 24.1056 -17.9104
21 C2c C 27.2320 -16.1545
22 O6a O 26.0369 -14.0425
23 O6a O 21.6148 -19.6651
24 C2b C 28.4485 -15.4540
25 C1a C 27.2240 -17.5597
26 C1b C 28.4142 -14.0542
27 O7a O 29.6050 -13.3274
28 C7a C 30.8299 -13.9952
29 C1a C 32.0207 -13.2682
30 O6a O 30.7940 -15.3898
31 O1a O 17.3120 -15.2158
BOND 34
1 2 6 1
2 3 7 1
3 3 8 1 #Up
4 5 9 1
5 7 10 1
6 9 11 2
7 9 12 1
8 10 13 1
9 10 14 1 #Up
10 11 15 1
11 13 16 1
12 14 17 1
13 15 18 1
14 16 19 1
15 16 20 2
16 17 21 1
17 17 22 2
18 19 23 2
19 21 24 2
20 21 25 1
21 24 26 1
22 3 4 1
23 5 6 1
24 13 15 1
25 18 19 1
26 26 27 1
27 1 2 1
28 27 28 1
29 1 3 1
30 28 29 1
31 1 4 1
32 28 30 2
33 2 5 1
34 12 31 1
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