0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 16.2149 14.7759 9.68596 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.56483 5.59311 8.70827 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 13.3777 12.176 6.73939 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 7.40392 8.59466 7.36323 8.56483 5.59311 9.12854 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 12.0615 6.08585 8.50222 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.94828 15.6642 7.17969 12.0615 6.08585 7.55264 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 14.7768 9.95364 8.80614 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 16.6215 13.5488 9.25641 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 5.48831 13.0773 9.96708 14.4253 11.6378 9.27838 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 5.20528 9.29301 9.82915 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 15.5866 8.09967 7.54568 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 7.90775 4.16047 9.03572 8.4204 13.3662 9.49454 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 11.7625 7.06961 6.7117 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 9.83528 8.06684 6.10456 11.7625 7.06961 4.47349 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 7.54969 11.7493 5.08437 9.49967 7.06961 6.7117 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 7.54969 5.15322 6.10456 9.49967 7.06961 4.47349 numMergedOcc 0
16 mol 102 unq 0 iso 0 dist 8.84131 8.90571 7.36792 14.9418 7.42011 8.31932 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 17.7779 10.1816 8.8822 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 9.70016 13.2553 5.86073 15.4081 8.42718 9.66219 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 16.7357 10.6025 7.71248 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 9.00172 13.2145 6.29155 12.0146 4.54648 6.16242 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 9.00172 15.719 6.80239 12.0146 4.54648 5.87634 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 4.68975 9.30817 9.89303 7.85849 4.60632 7.69991 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 7.85849 5.29786 6.23142 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 8.84656 16.7911 9.71307 7.85849 5.29786 9.94764 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 4.9155 9.30817 6.54501 7.85849 5.71679 7.69991 numMergedOcc 0
26 mol 134 unq 4 iso 0 dist 4.9155 10.879 6.49416 7.85849 5.71679 6.23142 numMergedOcc 0
27 mol 134 unq 5 iso 0 dist 8.49987 6.47843 6.54501 10.2775 5.71679 7.69991 numMergedOcc 0
28 mol 134 unq 6 iso 0 dist 8.49987 10.9399 6.49416 10.2775 5.71679 6.23142 numMergedOcc 0
29 mol 134 unq 7 iso 0 dist 9.42271 6.16353 6.54501 6.08299 5.71679 7.69991 numMergedOcc 0
30 mol 134 unq 8 iso 0 dist 9.42271 7.07625 6.49416 6.08299 5.71679 6.23142 numMergedOcc 0
31 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 9.01311 6.48978 7.78652 numMergedOcc 0
32 mol 143 unq 1 iso 0 dist 7.73769 7.36837 5.99315 11.1518 5.20762 8.91301 numMergedOcc 0
33 mol 167 unq 0 iso 0 dist 6.53913 12.4033 9.87651 16.4519 13.0123 9.67741 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 12.3404 7.81713 6.2479 numMergedOcc 0
35 mol 181 unq 1 iso 0 dist 8.27794 4.89429 9.09537 13.9347 12.9468 9.72611 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 8.27794 4.89429 9.09537 10.4668 10.09 7.99195 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 6.32542 6.09749 6.03688 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 8.14644 12.2116 9.23153 11.3009 7.11498 6.59716 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 14.1993 13.3447 9.07471 numMergedOcc 0
40 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 10.2835 6.37275 6.98875 numMergedOcc 0
41 mol 231 unq 1 iso 0 dist 6.02527 7.6832 8.40182 10.2835 6.37275 6.54852 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 11.059 4.9377 9.40808 numMergedOcc 0
43 mol 235 unq 0 iso 0 dist 6.45574 6.70342 5.4638 4.46919 7.60081 9.55668 numMergedOcc 0
44 mol 235 unq 1 iso 0 dist 8.14407 6.01036 5.4638 9.62712 7.60081 9.55668 numMergedOcc 0
45 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 9.49843 10.7772 5.48118 numMergedOcc 0
46 mol 249 unq 1 iso 0 dist 8.14526 4.24754 6.18582 9.49843 7.04666 5.48118 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 7.37999 11.0659 6.24356 13.4374 7.52936 5.93616 numMergedOcc 0
48 mol 264 unq 1 iso 0 dist 7.36703 5.91731 6.24356 10.6141 7.52936 5.93616 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 6.74022 5.29529 8.52587 numMergedOcc 0
