0 mol 33 unq 0 iso 0 dist 9.90906 8.87925 6.08005 9.45316 5.63669 4.13966 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.32818 8.36524 13.091 6.20159 12.1733 13.7039 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 8.29997 8.27307 5.08122 9.40686 13.3933 11.8246 numMergedOcc 0
3 mol 69 unq 1 iso 0 dist 8.29997 6.92837 9.69519 9.40686 13.3933 3.85648 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.54678 9.9795 12.1235 8.58689 10.2348 5.83941 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 8.54678 9.9795 12.1235 7.82214 7.18472 5.46695 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 9.1584 8.85873 10.5017 7.00136 10.0091 4.30591 numMergedOcc 0
7 mol 89 unq 1 iso 0 dist 9.1584 7.3606 5.20015 7.00136 10.0091 5.1661 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 8.36066 6.44195 6.95651 5.7306 8.18984 4.66975 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 8.36066 7.34207 4.41003 5.7306 8.18984 9.20471 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 8.88105 9.66837 8.53662 8.71292 6.67589 10.2936 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.33818 7.9895 13.0008 7.71402 14.6726 7.45933 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 9.33818 7.9895 13.0008 4.74768 5.78025 8.42327 numMergedOcc 0
13 mol 167 unq 2 iso 0 dist 9.33818 6.53913 9.37794 7.71402 14.6726 6.38496 numMergedOcc 0
14 mol 167 unq 3 iso 0 dist 9.33818 6.53913 9.37794 4.74768 5.78025 8.09332 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 8.51999 6.28961 8.10912 6.58855 10.1095 4.19562 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.59599 6.0639 9.21913 9.02321 9.54242 5.04574 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 7.59599 6.91355 11.6591 9.02321 9.54242 11.8536 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 7.76429 6.0639 11.1768 9.02321 15.6512 5.04574 numMergedOcc 0
19 mol 186 unq 3 iso 0 dist 7.76429 6.91355 6.22624 9.02321 15.6512 11.8536 numMergedOcc 0
20 mol 186 unq 4 iso 0 dist 7.73733 6.0639 7.03438 9.02321 11.4618 5.04574 numMergedOcc 0
21 mol 186 unq 5 iso 0 dist 7.73733 6.91355 5.22317 9.02321 11.4618 11.8536 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 8.75987 7.58097 12.6895 8.57319 6.33187 11.9372 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 6.74917 7.91348 5.91451 6.38041 3.63907 5.8401 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 6.31608 7.91348 4.52914 6.38041 7.95139 5.8401 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 4.97089 7.38315 6.42688 6.77322 5.49064 3.87128 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.00434 6.95233 9.65978 9.85095 7.30824 5.60582 numMergedOcc 0
27 mol 266 unq 1 iso 0 dist 9.00434 6.95233 9.65978 8.25191 10.4784 10.3169 numMergedOcc 0
28 mol 266 unq 2 iso 0 dist 9.00434 6.95233 9.65978 7.35056 12.7057 9.69688 numMergedOcc 0
29 mol 266 unq 3 iso 0 dist 9.00434 9.61741 18.4434 9.85095 7.30824 17.1864 numMergedOcc 0
30 mol 266 unq 4 iso 0 dist 9.00434 9.61741 18.4434 8.25191 10.4784 15.5379 numMergedOcc 0
31 mol 266 unq 5 iso 0 dist 9.00434 9.61741 18.4434 7.35056 12.7057 12.4229 numMergedOcc 0
32 mol 266 unq 6 iso 0 dist 9.00434 5.61056 13.7874 9.85095 7.30824 12.5903 numMergedOcc 0
33 mol 266 unq 7 iso 0 dist 9.00434 5.61056 13.7874 8.25191 10.4784 9.37668 numMergedOcc 0
34 mol 266 unq 8 iso 0 dist 9.00434 5.61056 13.7874 7.35056 12.7057 6.29234 numMergedOcc 0
