0 mol 26 unq 0 iso 0 dist 5.97065 8.69142 4.98603 7.89671 8.82012 6.46104 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 5.97065 8.69142 4.98603 10.1933 9.16962 10.177 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 8.06918 6.13606 9.29381 9.17087 8.33704 13.1203 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 8.06918 6.13606 9.29381 5.33532 7.92394 10.9151 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 8.56968 8.42287 9.29381 12.189 8.33704 13.1203 numMergedOcc 0
5 mol 70 unq 3 iso 0 dist 8.56968 8.42287 9.29381 7.6455 7.92394 10.9151 numMergedOcc 0
6 mol 70 unq 4 iso 0 dist 7.52623 6.13606 6.40963 5.33532 9.93423 10.9151 numMergedOcc 0
7 mol 70 unq 5 iso 0 dist 7.31655 8.42287 6.40963 7.6455 9.93423 10.9151 numMergedOcc 0
8 mol 70 unq 6 iso 0 dist 5.62294 6.13606 8.69313 5.33532 9.34122 10.9151 numMergedOcc 0
9 mol 70 unq 7 iso 0 dist 7.99569 8.42287 8.69313 7.6455 9.34122 10.9151 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.6785 9.84391 15.0649 9.04668 6.96442 14.7674 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 9.34871 6.02094 11.6678 4.89429 7.20046 9.85106 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 5.55727 6.02094 5.42554 4.89429 7.13543 9.85106 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 7.09847 6.71675 7.4793 4.59843 9.52936 6.42735 numMergedOcc 0
14 mol 184 unq 1 iso 0 dist 7.09847 6.71675 7.4793 5.66847 9.15417 10.3218 numMergedOcc 0
15 mol 209 unq 0 iso 0 dist 5.20111 9.17634 4.68679 5.35615 9.52027 13.9599 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 4.80429 9.65238 6.17282 7.18317 6.0965 7.37798 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 6.38872 9.65238 12.1116 7.17515 8.45368 16.5606 numMergedOcc 0
18 mol 213 unq 2 iso 0 dist 6.38872 9.65238 12.1116 7.18317 9.59129 7.37798 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 7.54327 5.74541 5.70413 5.28657 6.16063 6.30154 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 6.43838 4.46919 4.29892 5.06584 5.65339 6.95126 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 9.24964 4.46919 13.128 6.70342 9.58736 9.55668 numMergedOcc 0
22 mol 235 unq 2 iso 0 dist 9.24964 4.46919 13.128 6.38281 9.43058 10.076 numMergedOcc 0
23 mol 235 unq 3 iso 0 dist 9.24964 4.46919 13.128 10.6146 8.75735 14.3922 numMergedOcc 0
24 mol 235 unq 4 iso 0 dist 9.24964 4.46919 13.128 14.8599 6.98084 18.022 numMergedOcc 0
25 mol 235 unq 5 iso 0 dist 9.24964 4.46919 13.128 16.2392 7.32211 20.3456 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.89216 6.65465 10.3871 11.0676 6.91569 16.4671 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 6.50118 8.85202 10.5587 11.0996 9.68513 12.2731 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 6.50118 8.85202 10.5587 5.18833 9.29858 12.6066 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 6.50118 6.97527 10.3809 11.0996 9.68513 10.1217 numMergedOcc 0
30 mol 238 unq 4 iso 0 dist 6.50118 6.97527 10.3809 5.18833 9.29858 9.24557 numMergedOcc 0
31 mol 238 unq 5 iso 0 dist 9.3099 8.85202 10.7363 11.1632 9.90142 10.784 numMergedOcc 0
32 mol 238 unq 6 iso 0 dist 9.3099 8.85202 10.7363 11.0996 5.9216 12.2731 numMergedOcc 0
33 mol 238 unq 7 iso 0 dist 9.3099 6.97527 10.3147 11.1632 9.90142 7.57812 numMergedOcc 0
34 mol 238 unq 8 iso 0 dist 9.3099 6.97527 10.3147 11.0996 5.9216 10.1217 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 8.8896 8.18864 7.38014 7.62102 6.50589 11.3835 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 8.38395 6.74022 4.60275 6.45522 9.19234 6.39866 numMergedOcc 0
