0 mol 7 unq 0 iso 0 dist 9.04663 6.70503 8.80762 15.4019 7.57354 12.2708 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.04663 6.70503 8.80762 10.8629 6.96586 6.06176 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.70353 11.6619 8.63486 16.6168 8.98797 11.2318 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 8.04916 9.12104 8.16733 10.7906 5.18655 8.20144 numMergedOcc 0
4 mol 94 unq 1 iso 0 dist 8.04916 13.3759 9.97569 10.7906 5.18655 11.997 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 9.67232 10.2515 8.93905 11.043 8.43028 8.94259 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 6.89591 10.8466 7.72144 14.1742 9.47362 13.9336 numMergedOcc 0
7 mol 154 unq 1 iso 0 dist 6.89591 10.8466 7.72144 5.33656 6.28417 6.53652 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 6.23534 14.9601 9.43259 6.02842 8.49473 16.5051 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 6.23534 14.9601 9.43259 4.61964 6.87906 13.2847 numMergedOcc 0
10 mol 156 unq 2 iso 0 dist 6.23534 14.9601 9.43259 11.3518 7.94975 5.97294 numMergedOcc 0
11 mol 156 unq 3 iso 0 dist 6.23534 14.9601 9.43259 9.94511 9.39865 13.6496 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 8.65878 8.17865 7.88319 10.3704 6.39981 6.63727 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 8.26119 5.69334 6.26839 17.2935 9.77862 15.9311 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 8.26119 13.2099 8.12346 17.2935 9.77862 13.7758 numMergedOcc 0
15 mol 194 unq 2 iso 0 dist 8.26119 16.2258 8.83356 17.2935 9.77862 5.38925 numMergedOcc 0
16 mol 194 unq 3 iso 0 dist 8.26119 13.4175 8.2654 17.2935 9.77862 14.2415 numMergedOcc 0
17 mol 194 unq 4 iso 0 dist 9.10338 13.5654 6.26839 7.32655 9.77862 15.9311 numMergedOcc 0
18 mol 194 unq 5 iso 0 dist 9.10338 10.2888 8.12346 7.32655 9.77862 13.7758 numMergedOcc 0
19 mol 194 unq 6 iso 0 dist 9.10338 11.1617 8.83356 7.32655 9.77862 5.38925 numMergedOcc 0
20 mol 194 unq 7 iso 0 dist 9.10338 13.9257 8.2654 7.32655 9.77862 14.2415 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 8.08402 4.71355 7.05523 10.9747 7.2498 7.62375 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 8.08402 15.511 8.46327 10.9747 7.2498 10.7373 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 8.1139 7.9251 8.0751 9.04724 6.23898 7.35842 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 7.81918 9.6289 6.6561 6.299 5.13453 8.69249 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 8.92533 13.617 6.6561 6.98496 5.13453 8.69249 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 9.74049 12.8002 9.18895 6.98496 7.95883 9.60485 numMergedOcc 0
27 mol 225 unq 3 iso 0 dist 7.55355 5.38295 8.87609 8.12068 7.29542 5.06326 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 7.96696 4.9585 8.67805 10.0929 7.18771 10.0774 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 7.96696 4.9585 8.67805 11.9014 7.94894 9.8202 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 9.68147 9.56932 6.77954 4.50926 8.42446 5.59351 numMergedOcc 0
31 mol 248 unq 1 iso 0 dist 9.61983 5.93796 6.77954 6.29202 8.42446 5.59351 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 9.84667 9.54944 6.04162 4.52597 9.42738 8.16326 numMergedOcc 0
33 mol 264 unq 1 iso 0 dist 9.84667 12.533 6.14323 4.52597 9.42738 12.3807 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 9.66445 16.3624 9.13907 14.8622 8.32473 6.17102 numMergedOcc 0
