0 mol 4 unq 0 iso 0 dist 4.88114 6.12485 9.84838 6.66589 7.86036 6.56189 6.21697 10.9924 6.86951 9.80478 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 8.17618 7.58748 6.67154 10.1259 12.2342 8.15864 12.5465 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 8.98466 6.6051 10.763 8.17618 6.89226 6.67154 10.1259 12.3593 8.15864 12.5465 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 5.54343 5.33496 5.9853 12.1186 9.86958 8.85416 13.7301 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 9.99634 10.8691 6.43864 12.1186 6.08228 5.66803 12.0432 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 5.26938 5.39287 5.30415 6.69898 10.4317 7.57471 6.8014 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 9.10245 9.90256 5.83874 8.91602 11.6194 11.2095 6.69898 10.4317 7.57471 11.835 numMergedOcc 0
7 mol 87 unq 2 iso 0 dist 9.10245 5.63748 7.43534 5.26938 5.39287 5.507 5.38943 12.3515 5.62336 9.1329 numMergedOcc 0
8 mol 87 unq 3 iso 0 dist 9.10245 5.63748 7.43534 8.91602 11.6194 7.26523 5.38943 12.3515 5.62336 9.03114 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 9.42175 9.42014 5.44978 5.81552 9.60908 6.29923 10.5302 7.02969 9.3757 11.0565 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.97879 8.15877 5.0333 8.36743 11.9317 8.57909 11.646 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 12.1405 14.4096 6.80214 12.7786 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 7.35148 6.39087 11.4142 7.30244 10.48 12.2765 6.99846 13.8218 9.86144 9.58343 numMergedOcc 0
13 mol 220 unq 2 iso 0 dist 7.35148 6.39087 11.4142 7.29796 5.23846 13.2427 6.99846 13.8218 9.86144 12.0159 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 9.96011 5.32878 13.0929 15.386 21.9904 8.63249 21.314 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 6.08181 7.25618 11.0025 9.67877 5.09738 15.0574 7.64421 13.3732 8.70193 17.1491 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 8.81059 13.8694 4.51422 7.64421 13.3732 8.70193 7.9357 numMergedOcc 0
17 mol 258 unq 2 iso 0 dist 6.08181 7.25618 11.0025 9.12006 14.0402 4.99997 7.64421 13.3732 8.70193 5.79537 numMergedOcc 0
18 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 9.67877 10.4667 15.0574 7.64421 12.9422 8.70193 17.1491 numMergedOcc 0
19 mol 258 unq 4 iso 0 dist 7.70189 7.25618 9.46467 8.81059 9.22664 4.51422 7.64421 12.9422 8.70193 7.9357 numMergedOcc 0
20 mol 258 unq 5 iso 0 dist 7.70189 7.25618 9.46467 9.12006 13.0489 4.99997 7.64421 12.9422 8.70193 5.79537 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 7.6414 11.544 4.25662 4.70691 14.3042 6.0437 8.50313 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 9.70222 4.85199 10.6318 7.6414 11.544 4.25662 6.43452 9.71882 9.13604 12.8798 numMergedOcc 0
23 mol 261 unq 2 iso 0 dist 9.70222 9.72159 4.97878 7.6414 11.544 12.864 6.43452 9.71882 6.89731 12.8798 numMergedOcc 0
