0 mol 4 unq 0 iso 0 dist 7.72767 7.29958 7.09907 10.9544 9.79054 5.9625 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 6.15129 5.78755 9.03144 7.38892 8.89682 5.80429 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.6585 13.2331 9.60995 4.9049 8.23618 10.0087 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 8.79531 6.08048 9.60995 5.78106 8.23618 10.0087 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.19647 5.92597 9.82315 5.98329 6.85094 5.78708 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 8.85917 8.11301 8.92255 4.69046 9.69751 4.73293 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.60664 7.70943 9.87177 5.58441 9.94312 12.5066 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.60664 3.98918 6.70925 5.58441 9.94312 4.71695 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 5.60664 8.5233 8.95756 5.58441 9.94312 7.02797 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.99189 3.98395 9.06225 14.9018 7.71596 13.42 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.94097 10.3277 9.06225 15.8508 7.71596 13.42 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 5.58941 4.58154 5.5199 5.23253 5.51185 5.2394 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 6.00241 7.35103 8.07962 7.93639 9.61113 7.92108 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 6.00241 7.35103 8.07962 9.47676 7.73836 4.9259 numMergedOcc 0
14 mol 102 unq 2 iso 0 dist 6.00241 4.11174 7.58908 7.93639 9.61113 4.51114 numMergedOcc 0
15 mol 102 unq 3 iso 0 dist 6.00241 4.11174 7.58908 9.47676 7.73836 9.29865 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 5.98822 4.36058 6.81489 5.4348 5.24519 5.76817 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.55517 13.7072 9.71223 3.85935 8.09373 13.4102 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 7.38809 4.69185 6.11539 6.24164 7.33708 5.99119 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 7.38809 4.69185 6.11539 6.92292 4.46314 5.10642 numMergedOcc 0
20 mol 232 unq 2 iso 0 dist 7.38809 12.5532 9.71082 6.24164 7.33708 14.9027 numMergedOcc 0
21 mol 232 unq 3 iso 0 dist 7.38809 12.5532 9.71082 6.92292 4.46314 6.19573 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.64616 14.3595 8.68803 15.8347 8.01565 4.53635 numMergedOcc 0
23 mol 257 unq 0 iso 0 dist 9.77089 6.46221 8.43067 10.1158 5.65496 9.14736 numMergedOcc 0
24 mol 257 unq 1 iso 0 dist 9.77089 6.85005 7.6127 10.1158 5.65496 4.77705 numMergedOcc 0
25 mol 269 unq 0 iso 0 dist 6.33404 10.7788 7.97206 5.36199 9.91093 12.5683 numMergedOcc 0
26 mol 269 unq 1 iso 0 dist 6.33404 5.39605 7.1068 5.36199 9.91093 10.2496 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 8.54272 11.9766 8.26851 5.79473 7.24089 8.77987 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 8.54272 11.9766 8.26851 3.92316 9.29005 10.518 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 9.43429 11.9766 8.14634 3.92316 8.16746 10.518 numMergedOcc 0
