0 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 8.78063 14.6364 7.61521 numMergedOcc 0
1 mol 117 unq 0 iso 0 dist 7.82249 9.30187 5.24084 6.7814 9.32858 7.78789 numMergedOcc 0
2 mol 122 unq 0 iso 0 dist 9.62551 6.80798 10.4526 4.42285 11.9546 4.42563 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 6.65878 7.84813 6.61102 5.56946 8.00624 7.97548 numMergedOcc 0
4 mol 129 unq 1 iso 0 dist 6.65878 7.84813 6.61102 6.4379 11.5175 9.9291 numMergedOcc 0
5 mol 129 unq 2 iso 0 dist 6.65878 7.84813 6.61102 6.10584 8.42289 7.32151 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 4.84607 9.64659 5.78814 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 9.56319 8.22722 6.208 17.2785 11.1187 9.72387 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 6.65267 8.22722 3.60683 17.2785 10.9145 9.72387 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 9.73038 8.52036 6.208 16.4238 11.1187 9.72387 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 8.19166 8.83476 4.63862 11.981 9.64659 5.78814 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 7.65792 9.73897 6.9502 6.38418 11.8469 9.92504 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.73865 9.48934 10.3186 6.4437 11.6655 9.3273 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.52591 6.41183 10.3186 5.91683 11.6655 9.3273 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.47265 8.76449 10.0388 6.91778 9.88662 6.73617 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 5.47265 8.36182 9.71714 6.91778 9.88662 9.03544 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 9.24754 9.37245 5.57089 4.12904 8.32426 8.16252 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 8.39087 8.95296 11.1876 6.32863 9.23645 5.36671 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 5.60956 6.48066 3.60864 6.59758 8.41715 7.48734 numMergedOcc 0
19 mol 168 unq 1 iso 0 dist 5.60956 6.48066 3.60864 5.81821 7.79893 5.6125 numMergedOcc 0
20 mol 180 unq 0 iso 0 dist 8.4925 7.58661 9.66916 6.54937 13.6604 9.63576 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 9.85777 8.93485 10.5366 4.2475 6.94789 9.31158 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 8.47833 8.93485 6.82382 4.2475 11.2748 9.31158 numMergedOcc 0
23 mol 205 unq 2 iso 0 dist 5.05912 8.93485 9.27501 4.2475 6.23932 9.31158 numMergedOcc 0
24 mol 205 unq 3 iso 0 dist 5.47586 5.66636 6.82382 6.8901 11.2748 9.31158 numMergedOcc 0
25 mol 205 unq 4 iso 0 dist 6.60429 5.66636 9.27501 6.8901 6.23932 9.31158 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 5.70065 9.25184 6.59517 3.84723 6.13878 6.85824 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 4.87053 4.90656 5.63584 4.82768 8.86173 5.1609 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 9.84479 8.00949 4.77491 4.43222 10.5785 9.43618 numMergedOcc 0
29 mol 232 unq 1 iso 0 dist 9.82645 8.00949 17.8132 4.43222 10.8569 9.43618 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 5.9223 6.61322 5.05766 9.07364 11.1621 8.03012 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 8.93518 6.69951 12.7942 8.70769 13.8546 8.25897 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 9.94957 5.8898 13.1075 5.75478 15.5997 5.7944 numMergedOcc 0
33 mol 283 unq 0 iso 0 dist 5.90728 9.35302 12.6455 4.44211 10.2452 9.07995 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 7.38536 5.28731 3.57803 4.16039 8.46833 5.03601 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 9.64435 7.48987 10.528 5.57606 14.167 7.56669 numMergedOcc 0
