0 mol 20 unq 0 iso 0 dist 6.4934 8.72023 6.31611 8.77584 6.93199 12.7734 5.48225 5.9809 8.25405 7.06175 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 13.2136 8.82012 10.4035 8.25132 5.84066 6.73167 5.56139 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.16962 5.69955 4.80984 13.2136 8.82012 10.4035 4.94205 11.8063 7.40948 13.6553 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.46761 7.27383 9.17656 10.8153 8.63333 14.62 4.00553 10.1478 6.87028 13.5805 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.46761 7.27383 9.17656 8.62958 8.89374 10.9864 4.00553 10.1478 6.87028 10.0669 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.46761 7.27383 9.17656 6.47414 9.73139 12.5444 4.00553 10.1478 6.87028 8.55984 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 7.58407 7.27383 10.8775 11.0466 6.40841 16.5117 4.00553 10.7327 6.87028 14.0406 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 7.58407 7.27383 10.8775 6.47414 6.31428 12.5444 4.00553 10.7327 6.87028 8.55984 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 7.69052 9.66954 10.9734 5.03039 13.0432 8.4965 11.1447 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 11.6667 7.39889 14.7025 6.9194 6.55202 9.6121 6.30721 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.63176 7.77116 8.96522 11.6667 7.39889 14.7025 9.68677 9.08536 9.57341 14.443 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 9.63176 7.77116 8.96522 12.4603 7.44174 13.1741 6.9194 6.55202 9.6121 12.4621 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 9.63176 7.77116 8.96522 12.4603 7.44174 13.1741 9.68677 9.08536 9.57341 6.20019 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 7.75534 9.46588 5.83002 7.12167 9.06011 13.4223 10.7549 9.93613 8.66815 11.9496 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.6243 6.92648 6.01893 6.63273 6.91348 9.29384 8.57203 12.3382 6.78801 12.6005 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.91348 9.29384 6.01893 6.63273 8.6243 6.92648 12.6005 12.3382 6.78801 8.57203 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 5.49782 5.42582 10.873 16.4114 15.8119 8.48313 18.3331 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 8.79571 8.20836 9.65798 5.49782 5.42582 10.873 12.8086 14.0978 6.99345 15.0225 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 8.79571 8.20836 9.65798 5.49782 5.42582 10.873 7.41373 11.7151 5.11043 10.8635 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 8.79571 8.20836 9.65798 8.80819 8.6355 13.846 16.4114 15.8119 8.48313 20.1682 numMergedOcc 0
20 mol 134 unq 4 iso 0 dist 8.79571 8.20836 9.65798 8.80819 8.6355 13.846 12.8086 14.0978 6.99345 15.9138 numMergedOcc 0
21 mol 134 unq 5 iso 0 dist 8.79571 8.20836 9.65798 8.80819 8.6355 13.846 7.41373 11.7151 5.11043 12.3479 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 5.67306 9.54444 11.0888 13.2918 12.0433 6.77921 16.9121 numMergedOcc 0
23 mol 183 unq 0 iso 0 dist 7.01383 8.54827 5.45974 6.64382 9.93083 13.7917 6.2342 10.9213 9.20493 11.598 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 10.0756 12.0979 5.53324 12.8494 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 11.8031 10.6632 6.72182 7.73551 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 12.8494 12.0979 5.53324 10.0756 numMergedOcc 0
27 mol 194 unq 3 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 7.73551 10.6632 6.72182 11.8031 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 8.17891 8.38865 5.92529 5.22356 6.95902 5.4694 4.1511 7.79951 5.28771 4.69247 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 6.95902 5.4694 5.92529 5.22356 8.17891 8.38865 4.69247 7.79951 5.28771 4.1511 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 5.34718 8.50331 11.6774 7.28249 7.17676 11.9847 11.5307 14.3086 9.14068 18.1246 numMergedOcc 0
31 mol 276 unq 0 iso 0 dist 9.38971 6.70215 5.86074 8.62129 8.71541 7.23916 4.51728 10.7567 7.49391 12.2368 numMergedOcc 0
32 mol 276 unq 1 iso 0 dist 9.38971 6.70215 5.86074 8.88126 8.76347 10.0283 4.51728 10.7567 7.49391 13.0332 numMergedOcc 0
33 mol 276 unq 2 iso 0 dist 8.71541 7.23916 5.86074 8.62129 9.38971 6.70215 12.2368 10.7567 7.49391 4.51728 numMergedOcc 0
34 mol 276 unq 3 iso 0 dist 8.71541 7.23916 5.86074 5.50479 8.76347 10.0283 12.2368 10.7567 7.49391 13.0332 numMergedOcc 0
