0 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 9.61766 4.71384 7.06308 13.0479 12.1257 9.01651 8.59109 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 7.19021 9.0702 7.2846 9.61766 4.71384 6.34173 13.0479 12.1257 6.89191 8.59109 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 11.074 10.2241 9.58673 9.80755 11.5023 6.47744 7.01363 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 11.074 7.05413 9.58673 9.80755 8.89374 6.47744 7.01363 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.05508 5.34079 6.85766 11.5407 7.29033 6.71911 9.94975 10.6318 5.3525 6.5096 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 6.65344 13.1729 7.71095 10.6421 5.3525 8.24062 10.4897 6.71911 5.33688 6.5096 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.44713 4.1386 7.35754 10.573 4.77056 7.52743 9.39191 8.68821 5.33327 7.36816 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 13.1716 10.9739 7.76729 12.8154 11.8557 6.34759 7.99631 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 13.1716 10.9739 7.76729 16.0109 12.2309 10.2377 6.40036 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 4.98864 6.59772 6.11741 12.7883 10.8939 7.64585 16.4072 12.9821 10.7942 6.40036 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 7.95871 4.86477 6.11741 10.1292 10.8939 7.64585 14.9179 12.9821 10.7942 6.40036 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 16.2351 14.085 8.59981 10.2034 9.81878 4.77464 6.3244 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 11.5756 4.68409 7.92688 15.7698 14.0449 11.8989 9.94276 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.50322 5.37072 7.11802 11.5756 4.68409 7.92688 18.3973 13.5624 15.0734 9.05357 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 9.50322 5.37072 7.11802 11.5756 4.68409 7.92688 14.6256 9.65709 9.58627 5.99299 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 5.82404 5.37072 8.00618 11.5756 12.2037 7.92688 15.7698 19.3117 11.8989 9.94276 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 5.82404 5.37072 8.00618 11.5756 12.2037 7.92688 18.3973 20.5979 15.0734 9.05357 numMergedOcc 0
17 mol 133 unq 5 iso 0 dist 5.82404 5.37072 8.00618 11.5756 12.2037 7.92688 14.6256 16.126 9.58627 5.99299 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 6.7973 5.01118 6.23493 9.16944 4.9093 9.17284 5.10076 7.16254 6.3845 6.51096 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 14.5909 9.36098 7.06793 7.90095 6.87664 7.98696 8.89778 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 8.39002 9.98893 8.95269 11.3096 5.29877 6.67585 7.90095 6.87664 7.98696 9.47554 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 8.39002 5.72088 6.57273 11.3096 5.29877 6.65984 7.90095 6.87664 7.12232 9.47554 numMergedOcc 0
22 mol 224 unq 3 iso 0 dist 8.46129 5.72088 6.60589 11.3096 6.12232 6.65984 7.90095 10.8259 7.12232 9.47554 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 21.6144 16.1617 13.3557 7.95168 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 8.19915 4.65302 8.21247 5.85485 10.7117 10.6981 7.27958 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 10.8124 4.65302 8.21247 15.6099 10.7117 10.6981 7.27958 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 11.6311 6.64985 7.67853 10.9346 10.597 5.7074 6.75716 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 7.98617 10.2761 8.15665 11.886 6.17102 9.03492 15.3894 10.1651 6.46298 7.72845 numMergedOcc 0
