0 mol 43 unq 0 iso 0 dist 8.83248 10.3387 8.84944 16.8647 11.3412 7.67459 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.3754 5.91456 9.04549 9.2621 5.85694 7.97386 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 7.3754 5.91456 9.04549 8.74608 9.84981 8.3814 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 7.14979 5.15367 7.44913 13.1676 9.57875 9.56188 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.0009 6.74022 8.52643 10.2536 7.59945 5.45684 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.0009 6.74022 8.52643 14.0813 13.3239 7.76644 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 8.0009 5.42653 9.75299 10.2536 7.59945 7.66372 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 8.0009 5.42653 9.75299 14.0813 13.3239 9.99743 numMergedOcc 0
8 mol 64 unq 4 iso 0 dist 8.91298 6.74022 5.41357 10.2536 5.65551 5.45684 numMergedOcc 0
9 mol 64 unq 5 iso 0 dist 8.91298 6.74022 5.41357 14.0813 9.81422 7.76644 numMergedOcc 0
10 mol 64 unq 6 iso 0 dist 8.91298 5.42653 9.30042 10.2536 5.65551 7.66372 numMergedOcc 0
11 mol 64 unq 7 iso 0 dist 8.91298 5.42653 9.30042 14.0813 9.81422 9.99743 numMergedOcc 0
12 mol 67 unq 0 iso 0 dist 6.57749 9.09097 6.12267 12.9231 6.39609 8.01856 numMergedOcc 0
13 mol 67 unq 1 iso 0 dist 6.57749 7.29064 8.43162 5.45733 9.08666 9.8048 numMergedOcc 0
14 mol 104 unq 0 iso 0 dist 6.14066 5.30572 5.71279 7.00359 5.78815 7.32917 numMergedOcc 0
15 mol 104 unq 1 iso 0 dist 6.14066 5.30572 5.71279 9.41597 10.2942 8.84844 numMergedOcc 0
16 mol 124 unq 0 iso 0 dist 6.31232 8.28232 7.18976 11.7334 9.2094 8.03603 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 9.30597 8.54767 8.64054 13.2286 6.95591 6.93718 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 7.78004 8.73734 6.08846 14.1249 9.13134 6.45169 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 9.43182 8.73734 9.19171 14.1249 9.57821 6.45169 numMergedOcc 0
20 mol 131 unq 2 iso 0 dist 6.53758 7.28525 6.08846 11.1055 9.13134 6.45169 numMergedOcc 0
21 mol 131 unq 3 iso 0 dist 5.23223 7.28525 9.19171 11.1055 9.57821 6.45169 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 8.34722 10.6035 9.96635 19.1708 17.5374 8.95432 numMergedOcc 0
23 mol 165 unq 0 iso 0 dist 3.87901 8.4352 7.21397 7.29604 6.27901 7.8052 numMergedOcc 0
24 mol 165 unq 1 iso 0 dist 5.04534 5.73847 7.21397 9.21329 6.27901 7.8052 numMergedOcc 0
25 mol 192 unq 0 iso 0 dist 9.67207 4.64973 6.2016 10.3436 6.16078 5.83093 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 5.70288 13.2374 9.64195 12.8074 8.91219 7.89026 numMergedOcc 0
27 mol 198 unq 1 iso 0 dist 6.57198 13.8187 9.64195 15.2232 8.91219 7.89026 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 4.90334 7.84606 9.52029 12.3035 13.8486 9.23669 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 7.66083 6.48083 5.25149 8.95183 8.17619 9.57625 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 7.66083 6.54824 8.6368 13.2475 7.36665 9.984 numMergedOcc 0
31 mol 220 unq 2 iso 0 dist 7.66083 6.54824 8.6368 8.95183 8.17619 8.08702 numMergedOcc 0
32 mol 250 unq 0 iso 0 dist 9.73318 4.11548 8.51703 6.28288 11.6337 8.59384 numMergedOcc 0
33 mol 250 unq 1 iso 0 dist 5.75551 4.11548 5.07895 6.28288 5.95822 8.59384 numMergedOcc 0
34 mol 282 unq 0 iso 0 dist 6.15396 5.668 5.00258 10.8569 6.38947 6.51248 numMergedOcc 0
35 mol 282 unq 1 iso 0 dist 9.18964 5.668 8.22117 10.8569 5.98603 6.51248 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 9.11602 6.64598 5.15923 9.13071 11.7624 9.30394 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 9.11602 6.64598 5.15923 8.19596 5.58788 5.84467 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 9.11602 6.64598 5.15923 9.13071 11.7624 9.30394 numMergedOcc 0
39 mol 288 unq 1 iso 0 dist 9.11602 6.64598 5.15923 8.19596 5.58788 5.84467 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 9.11602 6.64598 5.15923 9.13071 11.7624 9.30394 numMergedOcc 0
41 mol 289 unq 1 iso 0 dist 9.11602 6.64598 5.15923 8.19596 5.58788 5.84467 numMergedOcc 0
