0 mol 15 unq 0 iso 0 dist 9.20338 12.2224 8.96967 14.2985 5.51916 9.78051 11.6322 7.12903 5.55659 6.82505 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 6.94727 11.5096 8.13782 19.9215 16.2375 9.20119 17.9262 14.4997 6.89191 7.58835 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.14856 5.78769 8.4517 12.2258 5.35421 8.68586 10.9566 11.9355 5.3948 9.67592 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 6.13507 8.61357 8.59747 11.5751 7.17489 7.321 12.8721 10.4676 9.0131 9.96708 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 6.13507 8.61357 8.59747 11.5751 7.17489 7.321 14.3375 13.3943 6.11922 9.78528 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 8.20636 13.4385 6.3244 22.1143 14.085 9.81878 16.0489 8.59981 4.77464 9.30299 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 8.03243 7.34983 6.3244 8.40046 14.085 9.81878 9.75166 8.59981 4.77464 9.30299 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 5.64806 5.84938 6.51096 9.70079 6.3845 9.17284 6.68061 7.16254 4.9093 6.23493 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 5.64806 5.84938 6.51096 9.70079 6.3845 9.17284 11.0287 9.14392 6.3437 7.46303 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 8.47477 5.74389 6.90155 12.8527 7.29758 9.36805 6.39035 6.27641 6.29785 7.44554 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 8.47477 5.74389 6.90155 11.0838 4.53931 7.55203 6.39035 6.27641 6.29785 9.83699 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 8.57453 4.95416 6.90155 13.6067 7.29758 9.36805 9.27577 6.27641 6.29785 7.44554 numMergedOcc 0
12 mol 156 unq 3 iso 0 dist 8.57453 4.95416 6.90155 9.16591 4.53931 7.55203 9.27577 6.27641 6.29785 9.83699 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 6.84347 8.65486 4.79852 17.1425 11.0415 9.8589 12.1089 9.31887 8.22779 9.0018 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 6.84347 8.65486 4.79852 17.1425 11.0415 9.8589 17.2853 12.816 10.5631 5.6234 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 6.84347 8.65486 4.79852 17.1425 11.0415 9.8589 15.6832 11.3137 7.5414 6.57069 numMergedOcc 0
16 mol 175 unq 3 iso 0 dist 6.84347 8.65486 4.79852 11.1504 5.0384 7.24908 12.1089 9.31887 8.22779 7.652 numMergedOcc 0
17 mol 175 unq 4 iso 0 dist 6.84347 8.65486 4.79852 11.1504 5.0384 7.24908 17.2853 12.816 10.5631 9.92231 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 6.4508 11.498 9.47554 9.33771 5.29877 6.87664 5.41021 6.67585 7.98696 8.95269 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 6.4508 11.498 9.47554 9.33771 5.29877 6.87664 4.91322 6.65984 7.12232 6.57273 numMergedOcc 0
20 mol 224 unq 2 iso 0 dist 6.4508 11.498 9.47554 9.33771 5.29877 6.87664 12.979 10.667 5.3621 5.78342 numMergedOcc 0
21 mol 224 unq 3 iso 0 dist 8.60781 5.46434 8.89778 9.34636 7.98696 7.06793 5.63485 6.87664 9.36098 8.95269 numMergedOcc 0
22 mol 224 unq 4 iso 0 dist 8.60781 5.03449 9.47554 9.34636 7.98696 6.67585 5.63485 6.87664 5.29877 8.95269 numMergedOcc 0
23 mol 224 unq 5 iso 0 dist 8.60781 5.03449 9.47554 9.79616 7.12232 6.65984 5.63485 6.87664 5.29877 6.57273 numMergedOcc 0
24 mol 224 unq 6 iso 0 dist 8.60781 5.03449 9.47554 9.79616 7.12232 6.65984 9.36962 10.8259 6.12232 6.60589 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 8.79054 13.0843 9.6101 16.9568 12.1076 9.5707 18.4194 17.6567 15.9563 9.45496 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 8.79054 13.0843 9.6101 16.9568 12.1076 9.5707 16.303 12.6312 14.4106 6.7625 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 7.29546 10.2924 7.27958 11.5033 10.6981 8.21247 12.3562 10.7117 4.65302 5.4638 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 8.72608 8.04679 7.72845 10.7808 6.46298 9.03492 7.1638 10.1651 6.17102 8.15665 numMergedOcc 0
