0 mol 46 unq 0 iso 0 dist 9.31292 8.55031 13.8587 5.65462 14.7443 9.81193 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.34804 6.23298 10.2575 7.29309 8.17929 9.30836 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.34804 6.23298 10.2575 4.31746 5.63802 6.58279 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.09675 6.70925 7.78899 7.05537 9.87816 7.45801 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.09675 6.70925 7.78899 7.25285 8.13535 5.30477 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 9.02753 8.95756 7.78899 11.9468 9.87816 7.45801 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 9.02753 8.95756 7.78899 5.90782 8.13535 5.30477 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.53726 9.88184 7.30364 11.0631 7.31426 7.2131 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 5.53726 9.88184 7.30364 14.9487 12.1756 7.44343 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.00829 5.28955 6.16644 4.09788 11.7009 6.13508 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 9.50023 5.4772 6.65276 6.09348 12.109 6.84818 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.09918 8.89412 4.1643 7.25148 12.2669 9.39811 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 9.46039 5.46716 4.81215 6.3462 9.70994 5.75595 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 9.21476 6.00651 4.93993 7.38323 9.77522 5.08863 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 9.21476 8.52428 7.55402 6.78733 11.9711 9.21191 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 8.29691 9.76275 5.01462 13.5286 13.7391 9.62138 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 8.37231 9.51731 3.96207 7.15755 9.0087 8.62413 numMergedOcc 0
17 mol 163 unq 0 iso 0 dist 9.21584 9.48142 7.23204 4.04072 11.9458 9.57242 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 9.15795 9.92635 6.08414 8.96895 10.4944 5.5781 numMergedOcc 0
19 mol 183 unq 1 iso 0 dist 8.72128 7.85507 6.08414 6.57004 10.4944 5.5781 numMergedOcc 0
20 mol 185 unq 0 iso 0 dist 7.64068 5.40655 4.81985 6.26644 6.68054 8.56136 numMergedOcc 0
21 mol 217 unq 0 iso 0 dist 8.72578 5.89788 10.8948 7.32888 15.365 9.37899 numMergedOcc 0
22 mol 217 unq 1 iso 0 dist 8.72578 5.89788 10.8948 10.7793 15.9489 6.14304 numMergedOcc 0
23 mol 217 unq 2 iso 0 dist 8.80103 5.89788 5.21449 7.32888 10.4076 9.37899 numMergedOcc 0
24 mol 217 unq 3 iso 0 dist 8.80103 5.89788 5.21449 10.7793 7.63191 6.14304 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 9.87685 6.14732 8.98279 4.21811 13.9595 8.61546 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 9.87685 6.14732 8.98279 11.032 15.4624 7.17024 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 9.81689 6.98812 5.57706 10.7881 12.8414 7.49913 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.299 7.87072 9.69939 6.68035 5.94449 6.12347 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 8.299 7.87072 9.69939 4.47851 8.61452 8.79637 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 8.55037 5.27236 9.06411 7.33654 7.14502 6.1268 numMergedOcc 0
31 mol 294 unq 1 iso 0 dist 5.71656 5.27236 7.05161 7.33654 11.7143 6.1268 numMergedOcc 0
