0 mol 48 unq 0 iso 0 dist 8.9175 9.41551 4.69243 14.0679 7.77714 11.9784 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.6545 8.62998 10.5533 5.91098 6.71884 10.425 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 8.6545 9.84176 12.996 5.91098 6.71884 10.2829 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.14341 8.62998 4.79964 5.49578 7.8855 9.12215 numMergedOcc 0
4 mol 55 unq 3 iso 0 dist 8.14341 9.84176 4.96802 5.49578 7.8855 7.27444 numMergedOcc 0
5 mol 55 unq 4 iso 0 dist 7.58315 9.46633 11.775 11.2733 7.8855 18.1525 numMergedOcc 0
6 mol 55 unq 5 iso 0 dist 9.20445 8.0481 8.01383 12.2864 8.29508 9.94035 numMergedOcc 0
7 mol 55 unq 6 iso 0 dist 9.20445 7.15203 4.42326 12.2864 8.29508 10.7391 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 6.34231 7.27623 9.46692 11.0284 9.97224 16.1242 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 6.73908 9.61252 7.54273 8.36149 8.85511 11.4721 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 7.03608 6.5332 4.06845 12.7143 7.67702 11.7281 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 7.19283 9.91448 8.89786 12.4023 8.7469 11.1656 numMergedOcc 0
12 mol 136 unq 1 iso 0 dist 7.19283 9.91448 8.89786 7.42778 9.89967 10.498 numMergedOcc 0
13 mol 136 unq 2 iso 0 dist 5.95839 7.827 8.89786 5.3281 8.7469 11.1656 numMergedOcc 0
14 mol 136 unq 3 iso 0 dist 5.95839 7.827 8.89786 12.6943 9.89967 10.498 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 6.8631 8.10747 4.56269 12.4468 8.14413 8.14122 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 5.00508 7.95378 7.24465 12.1116 7.90449 12.6932 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.68949 9.64956 14.3641 11.5883 7.42888 15.9916 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.59505 9.53867 11.9132 4.62662 4.28058 12.0343 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.59505 9.53867 11.9132 4.62662 4.28058 12.0343 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.59505 9.53867 11.9132 4.62662 4.28058 12.0343 numMergedOcc 0
