0 mol 25 unq 0 iso 0 dist 6.6492 6.55597 8.89681 4.70708 8.5404 11.1095 6.47509 12.8378 8.07318 8.44757 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.63486 9.2898 15.8558 11.2318 8.98797 13.5478 9.67727 13.8403 8.77529 8.53367 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 6.77886 9.03564 10.5332 10.9467 5.86571 16.2662 9.96534 15.4669 8.77529 20.6483 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 8.65802 9.33861 10.2518 12.3813 9.20197 18.6152 6.95017 12.4442 8.89015 17.442 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.72642 9.42082 10.5109 11.7126 9.9928 12.9982 6.01673 10.6602 7.65564 15.7303 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 8.33077 6.93139 6.76477 8.84655 6.42785 10.1252 7.21225 6.5739 7.5573 11.4437 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 8.41611 5.40637 6.16103 5.44503 6.40901 7.46803 4.78563 13.1913 9.29944 9.4389 numMergedOcc 0
7 mol 143 unq 1 iso 0 dist 7.63338 5.40637 8.4697 6.01455 8.1582 10.55 4.78563 10.6706 9.29944 4.38322 numMergedOcc 0
8 mol 143 unq 2 iso 0 dist 7.63338 5.40637 8.4697 5.44503 9.40626 7.46803 4.78563 10.6706 9.29944 9.4389 numMergedOcc 0
9 mol 143 unq 3 iso 0 dist 7.25673 5.40637 6.78032 6.01455 7.88655 10.55 4.78563 8.612 9.29944 4.38322 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 6.38157 7.46481 5.73082 6.67959 5.10114 8.70987 16.8346 13.6759 9.43017 17.0808 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 6.6561 8.14831 11.2847 8.69249 5.13453 13.9144 6.28241 11.3657 6.46405 11.8454 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 9.60993 9.20589 12.2075 4.664 10.5857 8.85955 11.7963 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 9.60993 9.20589 12.2075 4.1511 5.28771 6.09335 9.08701 numMergedOcc 0
14 mol 227 unq 2 iso 0 dist 8.38865 5.23634 7.3164 13.3557 7.89801 11.5426 4.664 10.5857 8.85955 16.9814 numMergedOcc 0
15 mol 227 unq 3 iso 0 dist 8.38865 5.23634 7.3164 13.3557 7.89801 11.5426 4.1511 5.28771 6.09335 12.0749 numMergedOcc 0
16 mol 227 unq 4 iso 0 dist 5.4694 6.91318 7.3164 5.34702 9.20589 12.2075 8.49509 10.5857 8.85955 11.7963 numMergedOcc 0
17 mol 227 unq 5 iso 0 dist 5.4694 6.91318 7.3164 5.34702 9.20589 12.2075 4.69247 5.28771 6.09335 9.08701 numMergedOcc 0
18 mol 227 unq 6 iso 0 dist 5.4694 6.91318 7.3164 8.8709 7.89801 11.5426 8.49509 10.5857 8.85955 16.9814 numMergedOcc 0
19 mol 227 unq 7 iso 0 dist 5.4694 6.91318 7.3164 8.8709 7.89801 11.5426 4.69247 5.28771 6.09335 12.0749 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 8.85181 9.42618 18.3572 10.4706 13.4758 4.66186 18.0587 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 6.04162 9.19754 5.82131 8.16326 9.42738 13.8261 11.4167 7.14086 9.78237 9.04569 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 6.14323 8.29262 5.82131 12.3807 9.42738 13.8261 13.2035 7.14086 9.78237 9.04569 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 9.92201 7.25677 15.7984 11.2997 13.6334 7.16209 12.2659 numMergedOcc 0
