ATOM 17
1 C1y C 29.2207 -18.5580
2 C1x C 30.5201 -18.5574
3 C1x C 30.9231 -17.3216
4 S3x S 29.8727 -16.5615
5 S3x S 28.8163 -17.3230
6 O7a O 27.2194 -19.6529
7 C7a C 28.5417 -19.6830
8 O6a O 29.1736 -20.8383
9 C1y C 26.5122 -18.4300
10 C1x C 25.5195 -16.9154
11 C1x C 25.5195 -17.9499
12 C1y C 24.0633 -16.9154
13 C1y C 23.9803 -17.9499
14 N1y N 23.2191 -15.9906
15 C1x C 23.0346 -17.5168
16 C1x C 22.4962 -18.6133
17 C1a C 23.2119 -14.5562
BOND 19
1 3 4 1
2 4 5 1
3 5 1 1
4 1 2 1
5 2 3 1
6 6 7 1
7 1 7 1 #Up
8 9 10 1
9 9 11 1
10 10 12 1
11 11 13 1
12 12 14 1
13 12 15 1
14 13 16 1
15 13 14 1
16 15 16 1
17 9 6 1 #Down
18 7 8 2
19 14 17 1
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