0 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 14.9123 5.30792 6.86465 14.7768 9.95364 8.80614 10.2049 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.81637 11.9429 6.62496 12.4928 4.81926 6.35756 14.7768 9.95364 8.80614 5.49591 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 5.48831 13.0773 9.96708 15.2832 10.7394 8.8178 14.4253 11.6378 9.27838 15.434 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 11.5591 6.9948 7.47541 5.20528 9.29301 9.82915 13.5116 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 13.2455 4.26409 7.95579 15.5866 8.09967 7.54568 10.2865 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 9.9795 13.0232 6.19965 11.5591 6.9948 7.66905 15.5866 8.09967 7.54568 4.65335 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 7.90775 4.16047 9.03572 9.96562 6.59319 8.83255 8.4204 13.3662 9.49454 12.0666 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 7.90775 4.16047 9.03572 11.3191 16.6055 8.03644 8.4204 13.3662 9.49454 11.4333 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 13.494 6.65743 7.24514 16.7357 10.6025 7.71248 4.34568 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 4.68975 9.30817 9.89303 4.9155 5.79898 6.54501 7.85849 4.60632 7.69991 5.71679 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 10.9216 5.49782 8.94367 7.85849 5.29786 6.23142 4.57832 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.84656 10.879 6.37586 4.9155 5.00817 6.49416 7.85849 5.29786 6.23142 5.71679 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.84656 16.7911 9.71307 10.9216 5.49782 9.86662 7.85849 5.29786 9.94764 4.57832 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 4.9155 9.30817 6.54501 4.68975 5.79898 9.89303 7.85849 5.71679 7.69991 4.60632 numMergedOcc 0
14 mol 134 unq 5 iso 0 dist 4.9155 10.879 6.49416 10.9216 8.80819 8.94367 7.85849 5.71679 6.23142 4.57832 numMergedOcc 0
15 mol 134 unq 6 iso 0 dist 4.9155 10.879 6.49416 8.84656 5.00817 6.37586 7.85849 5.71679 6.23142 5.29786 numMergedOcc 0
16 mol 134 unq 7 iso 0 dist 8.49987 6.47843 6.54501 9.64152 5.79898 9.89303 10.2775 5.71679 7.69991 4.60632 numMergedOcc 0
17 mol 134 unq 8 iso 0 dist 8.49987 10.9399 6.49416 14.7559 8.80819 8.94367 10.2775 5.71679 6.23142 4.57832 numMergedOcc 0
18 mol 134 unq 9 iso 0 dist 8.49987 10.9399 6.49416 13.0189 5.00817 6.37586 10.2775 5.71679 6.23142 5.29786 numMergedOcc 0
19 mol 134 unq 10 iso 0 dist 9.42271 6.16353 6.54501 9.15658 5.79898 9.89303 6.08299 5.71679 7.69991 4.60632 numMergedOcc 0
20 mol 134 unq 11 iso 0 dist 9.42271 7.07625 6.49416 9.79337 8.80819 8.94367 6.08299 5.71679 6.23142 4.57832 numMergedOcc 0
21 mol 134 unq 12 iso 0 dist 9.42271 7.07625 6.49416 10.5814 5.00817 6.37586 6.08299 5.71679 6.23142 5.29786 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 17.2412 13.2049 9.1374 12.3404 7.81713 6.2479 6.6251 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 8.27794 4.89429 9.09537 10.4189 10.1912 5.98885 13.9347 12.9468 9.72611 5.6044 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 8.27794 4.89429 9.09537 10.4189 10.1912 5.98885 10.4668 10.09 7.99195 6.6251 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 13.7769 8.18714 6.03031 6.32542 6.09749 6.03688 8.15057 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 9.25882 9.40714 7.80463 16.4532 13.8543 7.26832 6.32542 6.09749 6.03688 12.4957 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 10.9296 6.8425 6.00706 14.1993 13.3447 9.07471 7.75466 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 8.14526 5.01979 6.18582 9.49843 10.7772 5.48118 7.04666 numMergedOcc 0
29 mol 249 unq 1 iso 0 dist 8.14526 4.24754 6.18582 7.79723 5.01979 7.57994 9.49843 7.04666 5.48118 10.7772 numMergedOcc 0
