0 mol 42 unq 0 iso 0 dist 9.83301 9.82536 14.514 8.6764 8.84148 17.8478 5.6382 5.52834 13.1748 5.21506 numMergedOcc 0
1 mol 42 unq 1 iso 0 dist 9.83301 8.77998 11.4032 8.6764 8.84148 15.8054 5.6382 5.52834 11.3896 5.21506 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.37476 8.85981 7.52996 6.28936 5.92936 9.28253 4.49648 7.48556 6.4104 4.97519 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.37476 8.85981 7.52996 6.28936 5.92936 9.28253 4.50556 9.47045 12.0834 9.95663 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.37476 8.85981 7.52996 6.28936 5.92936 9.28253 4.53367 8.68218 12.7946 6.87319 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 7.37476 9.37314 9.80866 6.28936 5.92936 13.1851 4.49648 7.48556 10.1769 4.97519 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 7.37476 9.37314 9.80866 6.28936 5.92936 13.1851 4.50556 9.47045 9.85884 9.95663 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 7.37476 9.37314 9.80866 6.28936 5.92936 13.1851 4.53367 8.68218 13.0808 6.87319 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 8.60438 8.14057 9.18603 4.77259 6.6146 11.0606 9.63545 9.06641 15.8361 5.12529 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 9.83241 9.54663 4.80675 8.10347 7.07421 6.29026 12.8233 7.6453 8.00624 5.06265 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 6.17633 9.64123 5.34721 9.59882 9.71692 14.0476 8.47619 9.18753 13.9381 11.8278 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 6.20295 9.72257 5.38822 9.57563 9.73708 14.1199 8.33704 9.15244 13.968 11.6537 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 7.23572 9.60878 5.72 8.49147 7.94469 10.4467 12.7308 8.84987 12.4753 6.08215 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 9.64006 6.9028 9.18635 16.6231 7.86207 15.7208 17.9836 9.89039 18.8593 9.09963 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 9.64006 6.9028 9.18635 16.6231 7.86207 15.7208 4.47683 8.57174 9.9693 14.3078 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 5.95601 9.48923 8.44287 5.01153 8.36396 11.8282 4.47956 7.48693 13.5849 5.52342 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 5.95601 9.67544 5.29674 5.01153 8.36396 12.1937 4.47956 7.48693 12.494 5.52342 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 7.73969 6.67907 5.52669 10.4934 9.13126 9.10613 11.1044 4.71683 9.44496 8.3795 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 7.73969 6.0087 5.27568 10.4934 9.13126 12.9448 11.1044 4.71683 9.13551 8.3795 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.27225 8.14812 4.6881 4.49451 8.97411 5.73296 11.1283 8.58092 11.1621 13.2474 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 8.78501 8.82941 9.7281 12.4808 8.12204 17.3156 8.96584 9.39714 16.0719 5.91091 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.60879 6.86014 7.44724 9.93994 6.23539 6.90434 4.00063 6.66936 4.81916 5.95045 numMergedOcc 0
