0 mol 43 unq 0 iso 0 dist 7.7961 5.63207 5.41731 9.2958 5.37778 6.18681 6.15285 10.8612 7.32913 13.2731 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 6.48746 8.71324 11.1165 8.85601 4.24381 13.5004 10.7791 16.0779 8.86433 17.2775 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 6.48746 9.5663 7.89444 8.85601 4.24381 11.569 12.0987 9.82294 5.66803 13.8276 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.75708 9.23755 6.17006 5.98764 12.4544 13.8547 10.3397 12.7722 7.58027 16.2159 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.75708 9.23755 6.17006 5.98764 12.4544 13.8547 8.31117 9.0383 4.34694 14.0387 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 9.31349 9.48319 15.0353 7.88265 13.1384 8.73538 6.77806 14.386 7.72515 11.71 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 7.61666 9.48319 11.9566 7.88265 9.33579 8.73538 6.77806 12.9318 7.72515 11.71 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.26954 7.40582 9.5797 8.37507 12.8218 5.63423 15.2733 15.614 8.15664 11.8241 numMergedOcc 0
8 mol 195 unq 0 iso 0 dist 8.51112 8.3941 12.1909 9.33055 8.15115 16.9491 8.14211 13.0457 5.61326 16.0806 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.19343 6.58174 7.51586 8.47283 4.71133 9.88337 10.9794 11.5711 6.20044 13.4001 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 9.19343 6.58174 7.51586 8.47283 4.71133 9.88337 9.00243 13.9015 8.41232 13.8337 numMergedOcc 0
11 mol 206 unq 0 iso 0 dist 8.90607 9.0815 10.4228 7.54599 5.27237 6.66922 7.03455 12.0946 6.52136 10.2225 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 9.31677 6.3687 9.96567 7.4717 13.2885 7.27859 4.52889 9.03261 8.74399 11.9419 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 5.66945 7.16232 4.84498 7.65636 8.48642 11.2023 7.52886 9.12236 7.26758 14.8834 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 8.07113 6.93654 11.7215 8.55479 10.4014 4.0136 4.95392 12.7797 7.58385 10.3175 numMergedOcc 0
15 mol 261 unq 1 iso 0 dist 8.07113 6.93654 11.7215 8.55479 10.4014 4.0136 6.94755 12.4826 6.0437 7.14871 numMergedOcc 0
16 mol 261 unq 2 iso 0 dist 8.07113 9.66298 13.4973 8.55479 10.4014 4.30068 6.94755 12.4826 4.85199 7.14871 numMergedOcc 0
17 mol 261 unq 3 iso 0 dist 8.07113 9.66298 13.4973 8.55479 10.4014 4.30068 17.3605 21.6189 9.72159 13.812 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 5.77107 4.49395 6.37482 5.93983 5.00843 4.57431 9.47966 13.5396 7.872 12.2776 numMergedOcc 0
19 mol 285 unq 1 iso 0 dist 5.77107 4.49395 6.37482 5.93983 5.00843 4.57431 6.49869 7.38536 6.32984 9.58965 numMergedOcc 0
