0 mol 26 unq 0 iso 0 dist 5.03531 14.1383 9.41425 12.9043 8.58071 9.5053 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 7.45026 7.4595 9.08732 8.54821 5.97902 7.31784 numMergedOcc 0
2 mol 141 unq 0 iso 0 dist 5.35509 6.27844 8.88454 5.80081 3.80087 9.78667 numMergedOcc 0
3 mol 141 unq 1 iso 0 dist 5.35509 6.27844 8.88454 6.49728 3.80763 6.73983 numMergedOcc 0
4 mol 141 unq 2 iso 0 dist 5.35509 6.27844 8.88454 10.8969 9.98068 7.64956 numMergedOcc 0
5 mol 141 unq 3 iso 0 dist 5.35509 6.2491 9.48581 5.80081 3.80087 8.47026 numMergedOcc 0
6 mol 141 unq 4 iso 0 dist 5.35509 6.2491 9.48581 6.49728 3.80763 8.6387 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 8.72521 5.52955 5.66207 10.1072 4.5497 6.95372 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 6.10125 7.94812 5.22104 6.97467 5.64188 7.46845 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 7.01577 12.0944 9.94904 12.781 7.36876 8.43933 numMergedOcc 0
10 mol 182 unq 1 iso 0 dist 7.01577 9.14827 8.62437 12.781 7.36876 8.2169 numMergedOcc 0
11 mol 182 unq 2 iso 0 dist 7.01577 9.14827 8.62437 8.04856 3.73864 8.52103 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 9.06347 11.6069 5.13892 11.8087 3.7326 6.37788 numMergedOcc 0
13 mol 194 unq 1 iso 0 dist 9.06347 9.02333 8.2232 11.8087 3.7326 8.7028 numMergedOcc 0
14 mol 237 unq 0 iso 0 dist 5.27463 12.2119 8.96803 6.78301 4.50383 6.07878 numMergedOcc 0
15 mol 237 unq 1 iso 0 dist 5.27463 12.2119 8.96803 11.3111 9.41259 7.80422 numMergedOcc 0
16 mol 237 unq 2 iso 0 dist 5.27463 12.2119 8.96803 15.258 12.5736 5.06628 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 8.86676 5.37783 6.3738 7.06589 5.68255 8.15091 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 3.62582 7.73529 8.72093 5.17332 3.70808 9.66027 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 6.19418 5.36417 6.11157 9.38716 3.96862 6.82575 numMergedOcc 0
20 mol 257 unq 1 iso 0 dist 9.81401 5.36417 8.97744 9.38716 5.74474 6.82575 numMergedOcc 0
