ATOM 37
1 O7a O 16.1000 -9.1700 #-
2 C1a C 12.5300 -8.4700
3 C1b C 13.7200 -9.1700
4 C7a C 14.9100 -8.4700
5 O6a O 14.9100 -7.0700
6 O7a O 17.9200 -19.5300 #-
7 C7a C 19.1324 -20.2300
8 C1b C 20.3279 -19.5396
9 O6a O 19.1325 -21.6298
10 C1a C 21.5153 -20.2251
11 Z Mn 16.0300 -14.4200
12 C1y C 19.3900 -13.1600
13 C1y C 19.3900 -14.5600
14 C1x C 20.6024 -15.2600
15 C1x C 21.8149 -14.5600
16 C1x C 21.8149 -13.1600
17 C1x C 20.6024 -12.4600
18 N1x N 17.6400 -12.1576
19 N5x N 14.2701 -12.3801
20 N1x N 13.5701 -15.6899
21 N1x N 18.5024 -15.9600
22 N1x N 16.3923 -17.7323
23 C8y C 14.6306 -11.0346
24 C8x C 13.6407 -10.0446
25 C8x C 12.2884 -10.4069
26 C8x C 11.9278 -11.7523
27 C8y C 12.9177 -12.7423
28 C1x C 12.2054 -14.1646
29 C1x C 16.7201 -10.6776
30 C1x C 12.6700 -18.2700
31 C1x C 12.6700 -19.6700
32 C1x C 13.8824 -20.3700
33 C1x C 15.0949 -19.6700
34 C1y C 15.0949 -18.2700
35 C1y C 13.8824 -17.5700
36 C1x C 18.1646 -18.0946
37 C1x C 18.9348 -17.1023
BOND 39
1 2 3 1
2 3 4 1
3 4 1 1
4 4 5 2
5 6 7 1
6 7 8 1
7 7 9 2
8 8 10 1
9 11 6 1 #Down
10 11 1 1 #Up
11 12 13 1
12 13 14 1
13 14 15 1
14 15 16 1
15 16 17 1
16 12 17 1
17 19 23 2
18 23 24 1
19 24 25 2
20 25 26 1
21 26 27 2
22 19 27 1
23 27 28 1
24 20 28 1
25 18 29 1
26 29 23 1
27 12 18 1
28 13 21 1
29 30 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 34 35 1
34 30 35 1
35 22 34 1
36 20 35 1
37 22 36 1
38 21 37 1
39 37 36 1
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