0 mol 18 unq 0 iso 0 dist 7.63261 7.23594 6.47139 9.00899 10.8265 4.59668 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.63261 7.23594 6.47139 7.826 13.2709 13.2203 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.38662 9.15042 5.16403 9.4658 4.89928 9.49478 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 8.27424 7.16036 8.93739 6.86391 8.76163 6.16718 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 6.4519 7.16036 6.65149 6.86391 8.72795 6.16718 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 8.99557 9.31319 15.919 9.72136 8.55766 13.1434 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 8.99557 9.31319 15.919 4.61355 5.91159 10.9054 numMergedOcc 0
7 mol 46 unq 2 iso 0 dist 8.99557 8.2513 17.0196 9.72136 8.55766 14.5035 numMergedOcc 0
8 mol 46 unq 3 iso 0 dist 8.99557 8.2513 17.0196 4.61355 5.91159 12.3186 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 6.75455 5.02591 7.17843 8.06358 13.5499 6.9648 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 6.28063 5.02591 4.4651 8.06358 11.2152 6.9648 numMergedOcc 0
11 mol 81 unq 0 iso 0 dist 9.1024 8.93196 14.5768 7.062 7.58448 7.50394 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.79055 5.89394 7.17015 8.3435 7.18067 4.46885 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.28919 5.89394 4.52119 8.3435 5.74315 4.46885 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.54807 6.05043 5.33325 9.05612 8.55456 3.94537 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 8.60361 5.94478 5.47085 9.43076 11.4521 6.80028 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 4.38961 5.09114 4.42285 7.34585 3.65582 6.9791 numMergedOcc 0
17 mol 123 unq 0 iso 0 dist 8.64091 8.87148 4.07494 8.18122 7.34791 4.1335 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 8.6499 9.7168 12.8573 9.8506 13.5761 15.239 numMergedOcc 0
19 mol 148 unq 1 iso 0 dist 8.6499 7.38138 8.61198 9.8506 13.5761 8.68046 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 8.75339 9.61132 12.8265 9.91991 13.6344 15.2388 numMergedOcc 0
21 mol 150 unq 1 iso 0 dist 8.75339 7.34423 8.68422 9.91991 13.6344 8.55576 numMergedOcc 0
22 mol 159 unq 0 iso 0 dist 8.73427 7.78695 7.64659 9.36133 7.44399 4.48323 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 6.99667 8.3035 4.55245 8.9694 11.5597 8.48942 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 6.22499 9.01896 4.55245 8.70011 9.75492 8.52282 numMergedOcc 0
25 mol 217 unq 0 iso 0 dist 6.00351 8.28941 6.20364 5.01648 3.59923 4.64118 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 8.59762 5.52981 4.94196 5.92364 5.45153 6.04002 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 8.59762 6.22077 10.4847 5.92364 5.45153 6.45316 numMergedOcc 0
28 mol 218 unq 2 iso 0 dist 9.42881 5.52981 11.7195 5.92364 11.0607 6.04002 numMergedOcc 0
29 mol 218 unq 3 iso 0 dist 9.42881 6.22077 4.67327 5.92364 11.0607 6.45316 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 6.37648 6.49599 7.49016 7.8428 4.83781 9.99423 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 6.37648 9.34738 6.30197 7.8428 4.83781 8.95813 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 6.37648 9.47382 9.84081 7.8428 4.83781 8.81358 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 9.00473 9.27402 4.45344 7.21255 9.60012 10.6409 numMergedOcc 0
34 mol 284 unq 1 iso 0 dist 9.00473 9.26573 5.88217 7.21255 9.60012 6.25608 numMergedOcc 0
