0 mol 24 unq 0 iso 0 dist 8.56483 8.23069 8.70827 7.40392 5.59311 5.54419 8.59466 9.12854 12.3067 7.36323 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.56483 8.59466 9.12854 7.40392 5.59311 7.36323 8.23069 8.70827 12.3067 5.54419 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 5.20528 9.53239 9.82915 9.9795 9.29301 7.97049 13.0232 12.0078 5.42586 6.19965 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 5.20528 9.53239 9.82915 11.5591 13.5116 7.47541 13.0232 12.0078 5.42586 7.66905 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 5.20528 9.53239 9.82915 11.5591 13.5116 7.47541 11.5462 14.4382 6.87425 5.73196 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.4204 4.16047 9.49454 11.3191 11.4333 8.03644 9.68997 12.1092 8.41707 7.27724 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.21813 5.90686 6.7117 9.32725 7.06961 5.08437 11.2946 9.42961 9.51923 6.48948 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.21813 5.90686 6.7117 9.32725 7.06961 5.08437 9.41666 4.47349 8.40073 6.10456 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.21813 9.41666 4.47349 9.32725 7.06961 6.10456 5.90686 6.7117 8.40073 5.08437 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 5.21813 9.41666 4.47349 9.32725 7.06961 6.10456 11.2946 9.42961 9.42358 6.48948 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.89276 12.4645 6.7117 10.6719 7.06961 5.08437 14.0785 9.42961 9.51923 6.48948 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 7.89276 12.4645 6.7117 10.6719 7.06961 5.08437 4.89219 4.47349 8.40073 6.10456 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 7.89276 4.89219 4.47349 10.6719 7.06961 6.10456 12.4645 6.7117 8.40073 5.08437 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 7.89276 4.89219 4.47349 10.6719 7.06961 6.10456 14.0785 9.42961 9.42358 6.48948 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.91143 13.9854 9.22232 20.2993 16.0138 7.11802 18.8989 12.7901 8.18495 8.00618 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 7.85849 9.30817 7.69991 4.9155 5.71679 6.54501 10.879 6.23142 5.00526 6.49416 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 7.85849 10.879 6.23142 10.9216 4.57832 8.94367 16.7911 9.94764 6.81259 9.86662 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 7.85849 10.879 6.23142 8.84656 5.29786 6.37586 16.7911 9.94764 6.81259 9.71307 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 7.85849 10.879 6.23142 4.9155 5.71679 6.49416 9.30817 7.69991 5.00526 6.54501 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 7.85849 16.7911 9.94764 10.9216 4.57832 9.86662 10.879 6.23142 6.81259 8.94367 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 7.85849 16.7911 9.94764 8.84656 5.29786 9.71307 10.879 6.23142 6.81259 6.37586 numMergedOcc 0
21 mol 134 unq 6 iso 0 dist 9.35946 5.65802 5.83771 14.2731 7.41674 9.89303 10.9294 7.80532 5.79898 6.54501 numMergedOcc 0
22 mol 134 unq 7 iso 0 dist 9.35946 10.9294 7.80532 14.2731 7.41674 6.54501 5.65802 5.83771 5.79898 9.89303 numMergedOcc 0
23 mol 134 unq 8 iso 0 dist 9.35946 10.9294 7.80532 13.25 9.87376 6.49416 6.11609 10.5252 8.80819 8.94367 numMergedOcc 0
24 mol 134 unq 9 iso 0 dist 9.35946 10.9294 7.80532 13.25 9.87376 6.49416 9.94648 10.7586 5.00817 6.37586 numMergedOcc 0
25 mol 134 unq 10 iso 0 dist 6.08299 6.16353 7.69991 9.42271 5.71679 6.54501 7.07625 6.23142 5.00526 6.49416 numMergedOcc 0
26 mol 134 unq 11 iso 0 dist 6.08299 7.07625 6.23142 9.79337 4.57832 8.94367 10.4858 9.94764 6.81259 9.86662 numMergedOcc 0
27 mol 134 unq 12 iso 0 dist 6.08299 7.07625 6.23142 10.5814 5.29786 6.37586 10.4858 9.94764 6.81259 9.71307 numMergedOcc 0
28 mol 134 unq 13 iso 0 dist 6.08299 7.07625 6.23142 9.42271 5.71679 6.49416 6.16353 7.69991 5.00526 6.54501 numMergedOcc 0
29 mol 134 unq 14 iso 0 dist 6.08299 10.4858 9.94764 9.79337 4.57832 9.86662 7.07625 6.23142 6.81259 8.94367 numMergedOcc 0
30 mol 134 unq 15 iso 0 dist 6.08299 10.4858 9.94764 10.5814 5.29786 9.71307 7.07625 6.23142 6.81259 6.37586 numMergedOcc 0
31 mol 156 unq 0 iso 0 dist 6.01599 4.88441 9.47433 10.0247 11.9952 7.44554 9.44257 14.7758 5.56175 8.94056 numMergedOcc 0
32 mol 156 unq 1 iso 0 dist 6.01599 4.88441 9.47433 10.0247 11.9952 7.44554 11.8602 13.0431 8.38403 9.83699 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.01017 10.5409 6.46704 9.75336 4.43096 8.03334 10.1466 12.4878 13.2049 9.1374 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.54437 8.70038 6.46704 13.6244 4.43096 8.03334 20.7222 12.4878 13.2049 9.1374 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 5.31279 5.68485 7.66165 9.45075 5.4141 9.70748 14.657 12.4002 13.8792 7.54065 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 5.31279 5.68485 7.66165 9.45075 5.4141 9.70748 17.103 14.0016 14.9058 8.87694 numMergedOcc 0
37 mol 186 unq 2 iso 0 dist 6.19189 9.40374 8.73217 10.8152 11.7429 7.54065 13.2169 17.7621 13.8792 9.70748 numMergedOcc 0
38 mol 186 unq 3 iso 0 dist 6.19189 9.40374 8.73217 10.8152 11.7429 7.54065 14.8041 14.2425 5.74635 8.87694 numMergedOcc 0
39 mol 186 unq 4 iso 0 dist 8.34668 12.4751 8.73217 18.4039 11.7429 7.54065 22.8577 17.7621 13.8792 9.70748 numMergedOcc 0
40 mol 186 unq 5 iso 0 dist 8.34668 12.4751 8.73217 18.4039 11.7429 7.54065 17.4821 14.2425 5.74635 8.87694 numMergedOcc 0
41 mol 204 unq 0 iso 0 dist 6.67938 5.96888 7.32294 11.0143 5.86489 8.51516 15.6743 11.5776 10.8344 7.10633 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 6.79634 4.84308 5.44002 11.1839 10.3603 7.26832 9.41301 12.3113 7.38516 6.03031 numMergedOcc 0
43 mol 205 unq 1 iso 0 dist 6.79634 4.84308 5.44002 11.1839 10.3603 7.26832 17.1669 17.9798 13.8543 7.80463 numMergedOcc 0
44 mol 206 unq 0 iso 0 dist 9.24801 9.48802 8.0871 13.9224 7.62219 7.7366 13.5013 13.2041 5.63422 9.774 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 6.74022 10.7073 8.52587 9.13226 5.29529 7.56915 11.3302 11.6126 6.33073 8.49997 numMergedOcc 0
