0 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 7.69765 9.13361 7.27912 11.7126 9.9411 9.9928 16.7897 numMergedOcc 0
1 mol 115 unq 1 iso 0 dist 8.66155 5.72642 5.87507 9.42082 6.49835 10.5109 11.7126 9.9411 9.9928 12.9982 numMergedOcc 0
2 mol 175 unq 0 iso 0 dist 9.52634 7.35824 6.05776 9.63417 4.14392 5.68406 11.1651 10.1855 7.01126 11.9429 numMergedOcc 0
3 mol 175 unq 1 iso 0 dist 9.52634 9.17364 5.85047 9.63417 4.14392 9.31641 11.1651 10.1855 6.58434 11.9429 numMergedOcc 0
4 mol 178 unq 0 iso 0 dist 8.96511 4.92088 7.07052 9.11204 5.87125 7.79894 5.25267 12.6141 5.98771 11.7594 numMergedOcc 0
5 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 9.03441 9.33403 8.89297 6.08211 14.218 9.79691 12.3988 numMergedOcc 0
6 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 9.03441 4.191 8.89297 6.08211 11.867 9.79691 12.3988 numMergedOcc 0
7 mol 214 unq 0 iso 0 dist 6.97182 6.38157 9.26037 7.46481 11.357 5.73082 6.67959 11.7443 5.10114 8.70987 numMergedOcc 0
8 mol 214 unq 1 iso 0 dist 6.1175 6.38157 11.353 7.46481 10.9581 5.73082 6.67959 12.7646 5.10114 8.70987 numMergedOcc 0
9 mol 218 unq 0 iso 0 dist 8.53199 8.06216 5.31559 7.33709 11.6662 7.4492 7.47048 6.75035 9.67381 12.5343 numMergedOcc 0
10 mol 218 unq 1 iso 0 dist 8.53199 5.76954 8.21424 7.33709 11.6662 6.57708 9.68444 14.1171 6.86795 11.2108 numMergedOcc 0
11 mol 218 unq 2 iso 0 dist 8.53199 5.76954 8.21424 7.33709 11.6662 6.57708 7.47048 6.75035 6.61099 12.5343 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 6.91318 11.5454 7.3164 5.34702 11.6647 9.20589 12.2075 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 9.62609 5.4694 5.23507 6.91318 11.5454 7.3164 8.8709 6.152 7.89801 11.5426 numMergedOcc 0
14 mol 227 unq 2 iso 0 dist 8.17891 8.38865 5.92529 5.23634 4.09934 7.3164 9.60993 11.6882 9.20589 12.2075 numMergedOcc 0
15 mol 227 unq 3 iso 0 dist 8.17891 8.38865 5.92529 5.23634 4.09934 7.3164 13.3557 7.95168 7.89801 11.5426 numMergedOcc 0
16 mol 227 unq 4 iso 0 dist 6.95902 5.4694 5.92529 6.91318 4.09934 7.3164 5.34702 11.6882 9.20589 12.2075 numMergedOcc 0
17 mol 227 unq 5 iso 0 dist 6.95902 5.4694 5.92529 6.91318 4.09934 7.3164 8.8709 7.95168 7.89801 11.5426 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 8.82351 5.99163 6.22195 15.3074 12.4232 9.42618 13.8196 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.29858 7.32982 6.48619 9.72188 11.7938 13.0611 8.85181 12.4232 9.42618 18.3572 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 5.9216 6.4398 5.8333 8.82351 4.40419 6.22195 15.3074 14.6581 9.42618 13.8196 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 8.50864 6.17052 6.53154 9.05018 13.1523 7.14182 6.48757 13.4404 8.53148 5.0345 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 6.77938 8.59697 12.1218 8.03219 8.90322 4.67584 5.31048 11.4462 6.39918 8.84648 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 6.77938 8.59697 12.1218 6.9899 9.2872 7.32929 5.31048 11.4462 6.39918 6.23661 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 7.76676 8.59697 9.22203 8.03219 7.27192 4.67584 5.31048 9.64797 6.39918 8.84648 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 7.76676 8.59697 9.22203 6.9899 4.61451 7.32929 5.31048 9.64797 6.39918 6.23661 numMergedOcc 0
