0 mol 4 unq 0 iso 0 dist 4.88114 6.12485 9.84838 6.21697 10.9924 6.86951 6.66589 7.86036 6.56189 9.80478 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 12.1186 9.86958 8.85416 12.0432 10.8691 6.43864 9.99634 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 12.1186 6.08228 5.66803 13.7301 5.33496 5.9853 5.54343 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 10.0928 12.4201 7.48127 11.7544 14.6416 10.6009 4.83274 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 6.69898 10.4317 7.57471 5.26938 5.39287 5.30415 6.8014 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 9.10245 5.63748 7.43534 5.38943 12.3515 5.62336 5.26938 5.39287 5.507 9.1329 numMergedOcc 0
6 mol 87 unq 2 iso 0 dist 9.10245 5.63748 7.43534 5.38943 12.3515 5.62336 11.099 9.87286 5.76272 9.33217 numMergedOcc 0
7 mol 87 unq 3 iso 0 dist 9.10245 5.63748 7.43534 5.38943 12.3515 5.62336 8.91602 11.6194 7.26523 9.03114 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.02969 9.3757 5.44978 10.5302 9.42175 9.42014 11.0565 9.60908 6.29923 5.81552 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.07294 5.79195 5.35551 9.34083 12.8985 8.76088 13.8241 11.2586 8.99025 8.96061 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.12189 9.2759 10.8516 11.2107 9.428 8.76088 10.2321 7.50998 8.99025 8.96061 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 7.50126 9.2759 5.35551 11.2107 12.8985 8.76088 10.2321 11.2586 8.99025 8.96061 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 8.73614 12.7279 9.13339 13.4222 12.4171 7.94378 8.28732 numMergedOcc 0
13 mol 189 unq 0 iso 0 dist 5.11059 9.47321 8.03657 8.74557 10.0857 6.38294 13.531 11.0796 6.35993 8.57361 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.35148 6.39087 11.4142 6.99846 13.8218 9.86144 7.30244 10.48 12.2765 9.58343 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 15.386 21.9904 8.63249 16.3801 23.3543 13.6195 9.97357 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 7.6402 7.74348 13.5224 15.386 21.9904 8.63249 12.2331 18.5325 7.45579 6.36941 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 6.08181 7.25618 11.0025 7.64421 13.3732 8.70193 8.81059 13.8694 4.51422 7.9357 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 7.64421 13.3732 8.70193 9.12006 14.0402 4.99997 5.79537 numMergedOcc 0
19 mol 258 unq 2 iso 0 dist 7.70189 7.25618 9.46467 7.64421 12.9422 8.70193 8.81059 9.22664 4.51422 7.9357 numMergedOcc 0
20 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 7.64421 12.9422 8.70193 9.12006 13.0489 4.99997 5.79537 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 4.70691 14.3042 6.0437 7.6414 11.544 4.25662 8.50313 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 9.71882 9.13604 10.6318 9.51335 14.3042 6.0437 12.8798 11.544 4.25662 8.50313 numMergedOcc 0
23 mol 261 unq 2 iso 0 dist 9.71882 9.13604 10.6318 6.43452 9.70222 4.85199 12.8798 11.544 4.25662 7.6414 numMergedOcc 0
24 mol 261 unq 3 iso 0 dist 9.71882 6.89731 4.97878 6.43452 9.70222 9.72159 12.8798 11.544 12.864 7.6414 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 11.3688 12.4458 8.15119 15.0284 16.1716 10.2486 9.84188 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.23539 6.66936 5.95045 11.3688 12.4458 8.15119 14.2462 13.2927 7.94155 8.35794 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 9.43447 8.83076 9.88995 11.8293 18.3759 9.76967 19.6794 26.485 18.1328 9.26066 numMergedOcc 0
