0 mol 7 unq 0 iso 0 dist 8.75465 6.3236 6.1206 11.9194 5.07985 7.21217 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.00249 6.3236 7.67927 11.9194 6.83196 7.21217 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.94712 5.40129 7.16132 6.53191 5.60003 5.38191 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 7.21134 10.6174 6.9362 16.5888 10.2162 9.57969 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 7.40698 5.6966 6.9362 13.9276 10.2162 9.57969 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.28726 10.5571 8.13108 12.7885 4.74638 6.83992 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.59103 8.36322 6.29161 15.3128 10.4255 8.21889 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 6.62354 4.91393 9.89083 8.35267 7.53568 7.21115 numMergedOcc 0
8 mol 109 unq 2 iso 0 dist 8.00085 12.0697 9.89083 10.8612 7.53568 7.21115 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 7.85205 7.96311 6.10127 10.5587 6.66127 7.70533 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.4275 5.65129 6.59889 11.5604 9.0696 8.89982 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 9.83462 5.65129 8.9192 11.5604 9.83062 8.89982 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 8.4603 5.4214 9.56028 9.68167 4.82437 7.86625 numMergedOcc 0
13 mol 207 unq 0 iso 0 dist 7.25953 5.6688 5.12567 9.91546 4.43093 5.08312 numMergedOcc 0
14 mol 207 unq 1 iso 0 dist 9.05688 10.6526 9.98372 9.91546 5.15938 8.09522 numMergedOcc 0
15 mol 207 unq 2 iso 0 dist 9.05688 5.6688 6.0563 9.91546 5.15938 5.08312 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 6.92276 6.83244 5.70635 10.0758 4.3433 7.2346 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 8.75776 7.64039 5.70635 9.50104 4.3433 7.2346 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.61255 7.62102 9.30212 11.2274 15.2854 6.00877 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 9.61255 7.62102 9.30212 12.41 16.784 8.66451 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 7.64703 7.62102 6.4611 11.2274 5.9397 6.00877 numMergedOcc 0
21 mol 274 unq 3 iso 0 dist 7.64703 7.62102 6.4611 12.41 4.89003 8.66451 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.88009 13.3794 9.57499 22.3059 19.5312 9.98528 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 7.88009 5.90394 5.46926 12.6385 13.3706 9.02914 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 7.88009 9.57081 8.9682 12.6385 13.3706 6.90434 numMergedOcc 0
25 mol 277 unq 3 iso 0 dist 5.80061 5.90394 5.13913 12.6385 12.1739 9.02914 numMergedOcc 0
26 mol 277 unq 4 iso 0 dist 5.80061 9.57081 6.92711 12.6385 12.1739 6.90434 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 7.62783 5.63763 6.41303 12.5746 6.34668 8.42412 numMergedOcc 0
