0 mol 54 unq 0 iso 0 dist 5.76314 6.25196 4.11549 5.05748 4.22514 6.29755 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 5.76314 8.88159 8.12687 5.05748 4.22514 7.4038 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 7.91009 8.53662 4.37412 13.4131 7.31138 9.24998 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 4.39121 8.16146 4.37412 7.717 7.31138 9.24998 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 8.42914 8.18876 13.1199 9.10719 10.2969 9.83234 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 8.17327 5.51155 13.1199 9.08459 10.2969 9.83234 numMergedOcc 0
6 mol 91 unq 2 iso 0 dist 9.52936 8.29601 13.1199 12.6858 10.2969 9.83234 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.86236 8.96628 8.15449 5.85333 12.7798 8.09751 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 7.24083 8.45451 9.3565 5.20968 11.6778 8.03603 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 7.0188 9.5205 13.2837 6.57549 9.74939 8.44933 numMergedOcc 0
10 mol 125 unq 1 iso 0 dist 7.0188 7.1608 8.93863 6.57549 9.74939 7.43803 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 8.15605 9.16949 4.46614 6.09043 8.6371 6.55217 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 8.15605 8.65294 4.74205 6.09043 8.6371 7.21686 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 7.39164 9.77271 4.62365 4.50907 8.45309 8.49577 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 6.28379 9.46821 9.90504 17.1492 17.8046 8.81929 numMergedOcc 0
15 mol 233 unq 1 iso 0 dist 9.29279 9.46821 4.94129 17.1492 11.0524 8.81929 numMergedOcc 0
16 mol 233 unq 2 iso 0 dist 8.91643 8.52401 9.90504 14.3744 17.8046 8.81929 numMergedOcc 0
17 mol 233 unq 3 iso 0 dist 8.79848 8.52401 4.94129 14.3744 11.0524 8.81929 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.64578 9.19442 15.2068 11.1021 18.0436 9.95252 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 9.64578 9.19442 15.2068 4.30527 12.9398 8.92121 numMergedOcc 0
20 mol 239 unq 2 iso 0 dist 7.02833 9.19442 5.22517 11.1021 13.3063 9.95252 numMergedOcc 0
21 mol 239 unq 3 iso 0 dist 7.02833 9.19442 5.22517 4.30527 9.26044 8.92121 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 9.5174 9.10723 9.72043 8.86627 15.4283 8.71966 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 9.74822 8.57375 11.4035 5.72409 7.11407 6.93798 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 5.06731 4.75392 6.45653 6.76834 8.01428 8.44356 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 5.06731 4.75392 6.45653 6.76834 8.01428 8.44356 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 5.06731 4.75392 6.45653 6.76834 8.01428 8.44356 numMergedOcc 0
