0 mol 0 unq 0 iso 0 dist 7.763 12.0056 6.91778 15.8263 9.15528 7.65806 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.17764 5.93318 6.02702 10.8066 8.43473 9.60499 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.17764 9.69326 8.72114 16.7858 13.8829 7.10621 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.56483 8.23069 8.70827 7.40392 5.59311 5.54419 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.56483 8.59466 9.12854 7.40392 5.59311 7.36323 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 5.20528 9.53239 9.82915 9.9795 9.29301 7.97049 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 5.20528 9.53239 9.82915 11.5591 13.5116 7.47541 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.4204 4.16047 9.49454 7.90775 13.3662 9.03572 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.4204 4.16047 9.49454 9.96562 12.0666 8.83255 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 8.4204 4.16047 9.49454 11.3191 11.4333 8.03644 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.21813 5.90686 6.7117 9.32725 7.06961 5.08437 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 5.21813 9.41666 4.47349 9.32725 7.06961 6.10456 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 7.89276 12.4645 6.7117 10.6719 7.06961 5.08437 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 7.89276 4.89219 4.47349 10.6719 7.06961 6.10456 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.49444 12.9469 8.8822 10.8115 10.1816 5.86073 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 5.55446 12.9469 9.66219 10.8115 8.42718 5.86073 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.91143 13.9854 9.22232 20.2993 16.0138 7.11802 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 7.85849 9.30817 7.69991 4.68975 4.60632 9.89303 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 7.85849 9.30817 7.69991 4.9155 5.71679 6.54501 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 7.85849 10.879 6.23142 10.9216 4.57832 8.94367 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 7.85849 10.879 6.23142 8.84656 5.29786 6.37586 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 7.85849 10.879 6.23142 4.9155 5.71679 6.49416 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 7.85849 16.7911 9.94764 10.9216 4.57832 9.86662 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 7.85849 16.7911 9.94764 8.84656 5.29786 9.71307 numMergedOcc 0
24 mol 134 unq 7 iso 0 dist 9.35946 5.65802 5.83771 14.2731 7.41674 9.89303 numMergedOcc 0
25 mol 134 unq 8 iso 0 dist 9.35946 10.9294 7.80532 14.2731 7.41674 6.54501 numMergedOcc 0
26 mol 134 unq 9 iso 0 dist 9.35946 10.9294 7.80532 13.25 9.87376 6.49416 numMergedOcc 0
27 mol 134 unq 10 iso 0 dist 6.08299 6.16353 7.69991 9.15658 4.60632 9.89303 numMergedOcc 0
28 mol 134 unq 11 iso 0 dist 6.08299 6.16353 7.69991 9.42271 5.71679 6.54501 numMergedOcc 0
29 mol 134 unq 12 iso 0 dist 6.08299 7.07625 6.23142 9.79337 4.57832 8.94367 numMergedOcc 0
30 mol 134 unq 13 iso 0 dist 6.08299 7.07625 6.23142 10.5814 5.29786 6.37586 numMergedOcc 0
31 mol 134 unq 14 iso 0 dist 6.08299 7.07625 6.23142 9.42271 5.71679 6.49416 numMergedOcc 0
32 mol 134 unq 15 iso 0 dist 6.08299 10.4858 9.94764 9.79337 4.57832 9.86662 numMergedOcc 0
33 mol 134 unq 16 iso 0 dist 6.08299 10.4858 9.94764 10.5814 5.29786 9.71307 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 6.01599 4.88441 9.47433 10.0247 11.9952 7.44554 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 9.01017 10.5409 6.46704 9.75336 4.43096 8.03334 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.54437 8.70038 6.46704 13.6244 4.43096 8.03334 numMergedOcc 0
37 mol 186 unq 0 iso 0 dist 5.31279 5.68485 7.66165 9.45075 5.4141 9.70748 numMergedOcc 0
38 mol 186 unq 1 iso 0 dist 6.19189 9.40374 8.73217 10.8152 11.7429 7.54065 numMergedOcc 0
39 mol 186 unq 2 iso 0 dist 8.34668 12.4751 8.73217 18.4039 11.7429 7.54065 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 6.67938 5.96888 7.32294 11.0143 5.86489 8.51516 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 6.32542 9.40714 6.03688 13.7769 8.15057 6.03031 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 6.32542 9.40714 6.03688 16.4532 12.4957 7.26832 numMergedOcc 0
43 mol 205 unq 2 iso 0 dist 6.32542 9.40714 6.03688 9.25882 6.09749 7.80463 numMergedOcc 0
44 mol 205 unq 3 iso 0 dist 6.79634 4.84308 5.44002 11.1839 10.3603 7.26832 numMergedOcc 0
45 mol 206 unq 0 iso 0 dist 9.24801 9.48802 8.0871 13.9224 7.62219 7.7366 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 5.74541 5.28657 6.30154 10.4208 7.44558 8.41436 numMergedOcc 0
47 mol 234 unq 1 iso 0 dist 5.74541 5.28657 6.30154 13.7219 10.9712 8.92474 numMergedOcc 0
48 mol 235 unq 0 iso 0 dist 4.46919 6.70342 9.55668 6.45574 7.60081 5.4638 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 6.97527 5.18833 9.24557 10.5161 14.7883 5.72887 numMergedOcc 0
50 mol 243 unq 0 iso 0 dist 7.30188 5.8297 8.76935 10.8689 6.60697 8.23192 numMergedOcc 0
51 mol 274 unq 0 iso 0 dist 6.74022 10.7073 8.52587 9.13226 5.29529 7.56915 numMergedOcc 0
