0 mol 13 unq 0 iso 0 dist 7.71544 4.43066 6.54276 10.6761 12.1518 8.27119 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 9.59131 6.07514 9.90656 9.57521 15.4545 7.31718 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 9.59131 6.07514 9.90656 10.2413 14.9615 5.47447 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.14996 7.57749 5.91159 9.83606 10.887 5.4713 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 9.47718 8.55202 5.91159 8.99132 10.887 5.4713 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.74131 7.58743 3.45432 5.73969 10.2786 9.21761 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 5.96486 8.38883 7.58448 5.82911 9.53663 8.96045 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.64281 6.12348 7.09333 3.77247 9.86767 4.30875 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 9.64281 6.12348 7.09333 13.3539 12.94 8.65807 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.72434 5.90003 11.4056 3.80816 10.6073 4.55071 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 9.16999 8.75894 8.71432 4.58529 12.2873 8.09691 numMergedOcc 0
11 mol 139 unq 0 iso 0 dist 8.49892 7.02063 4.37138 3.57097 11.0737 8.83962 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 9.76722 9.23064 9.43003 7.13766 6.48066 7.0961 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 9.76722 9.23064 9.43003 7.29489 11.6064 8.26768 numMergedOcc 0
14 mol 168 unq 2 iso 0 dist 9.76722 7.30338 8.01699 7.13766 6.48066 8.21227 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 9.83308 6.27683 7.0638 3.89732 9.58901 4.11374 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 9.83308 6.27683 7.0638 13.2558 12.3909 8.37602 numMergedOcc 0
17 mol 169 unq 2 iso 0 dist 8.97159 6.27683 13.7432 3.89732 12.436 4.11374 numMergedOcc 0
18 mol 169 unq 3 iso 0 dist 8.97159 6.27683 13.7432 13.2558 20.9055 8.37602 numMergedOcc 0
19 mol 169 unq 4 iso 0 dist 8.44483 6.00783 8.55252 4.24401 7.78577 8.6961 numMergedOcc 0
20 mol 169 unq 5 iso 0 dist 9.79864 6.00783 5.37021 4.24401 12.4926 8.6961 numMergedOcc 0
21 mol 169 unq 6 iso 0 dist 9.73241 6.00783 8.90362 4.24401 13.7977 8.6961 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 8.59783 6.51523 9.12839 11.244 13.457 9.68512 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.80584 7.93715 9.82173 9.20742 13.7402 8.23162 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 7.95713 7.93715 9.52963 9.20742 14.5644 8.23162 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 7.74693 5.76164 3.98113 4.45501 11.3962 8.4338 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 8.12306 5.09181 6.01574 5.00843 6.73396 7.73438 numMergedOcc 0
27 mol 285 unq 1 iso 0 dist 8.12306 8.27917 8.02755 7.01472 10.1649 4.27826 numMergedOcc 0
28 mol 285 unq 2 iso 0 dist 8.12306 8.27917 8.02755 11.0045 11.3128 5.82074 numMergedOcc 0
