0 mol 25 unq 0 iso 0 dist 9.07927 6.44262 7.31767 5.46378 8.43188 7.685 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50987 6.44262 6.03987 5.46378 10.3635 7.685 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.96797 6.5822 7.58835 12.6627 6.89191 9.20119 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 9.6112 9.99897 7.34143 12.5449 4.5482 7.18176 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 6.08894 6.01116 7.34143 9.28632 4.5482 7.18176 numMergedOcc 0
5 mol 52 unq 2 iso 0 dist 9.02308 4.98024 7.34143 10.5394 4.5482 7.18176 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 7.89001 12.2366 9.5589 12.7501 6.91765 5.02241 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 8.46313 9.46304 6.72123 14.4753 7.39396 8.76003 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 10.2171 6.11922 7.321 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 8.71603 9.86323 9.36773 10.882 8.4283 8.66514 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 8.71603 9.86323 9.36773 7.44647 5.37521 9.25235 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 7.02792 11.4302 9.35224 10.2102 5.69137 6.58204 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 7.02792 6.20162 6.56369 10.2102 5.69137 7.75343 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 5.79411 6.03768 7.36792 10.9627 5.498 9.94856 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 9.81252 5.61542 7.35754 7.83743 5.33327 8.68821 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 12.7737 4.91401 6.62561 numMergedOcc 0
16 mol 117 unq 1 iso 0 dist 8.98848 10.0436 7.83136 12.7737 4.91401 7.63616 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 7.85025 13.8058 8.00618 17.4295 12.2037 7.92688 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 6.91573 12.444 9.2313 14.3906 9.49653 7.15475 numMergedOcc 0
19 mol 142 unq 1 iso 0 dist 6.91573 7.18287 5.31024 14.3906 9.49653 9.07935 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 9.56095 6.64179 6.23493 13.8981 4.9093 9.17284 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 7.21035 8.27436 9.31746 13.6961 11.1088 6.73313 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 9.33638 17.0758 8.85478 15.258 6.67959 7.46831 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 9.5181 9.15708 9.36357 12.3333 11.4315 6.25105 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 9.5181 4.94699 6.7625 13.0958 14.4106 9.5707 numMergedOcc 0
25 mol 234 unq 2 iso 0 dist 9.5181 4.94699 6.7625 12.3333 11.4315 7.85175 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.94587 4.3284 6.57393 9.56125 6.20606 5.38637 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 9.09166 6.74773 6.22714 12.9754 5.17471 7.49471 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 9.09166 9.48707 7.31233 10.6177 10.4664 6.55759 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 9.09166 9.48707 7.31233 15.2414 11.2717 7.02475 numMergedOcc 0
30 mol 238 unq 4 iso 0 dist 9.09166 9.48707 7.31233 17.156 12.6986 7.67322 numMergedOcc 0
31 mol 238 unq 5 iso 0 dist 9.09166 9.48707 7.31233 12.9754 5.17471 7.19008 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 8.70852 5.07898 7.84554 9.19369 11.8736 7.48005 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 9.89728 5.07898 7.46176 9.19369 5.79468 7.48005 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 6.42437 5.07898 9.18903 9.19369 12.6649 7.48005 numMergedOcc 0
