0 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 13.7266 5.69214 7.95042 11.7903 6.85331 9.20254 8.14598 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 11.8618 5.11636 7.95042 16.2863 10.4452 9.20254 8.14598 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 6.12374 4.40004 7.26639 5.39032 8.80956 7.46414 4.74069 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 4.31067 4.70157 6.48948 7.63284 7.03983 7.02507 9.79578 10.8197 5.82029 6.84952 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.00798 5.57978 8.54584 8.62413 12.1739 5.51197 9.72618 10.1938 4.80675 8.85652 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 7.00798 5.57978 8.54584 8.4375 8.26896 6.69691 9.72618 10.1938 4.80675 9.31543 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.29673 9.35671 8.22656 13.5739 6.9945 7.22643 10.0451 7.15203 9.71227 9.7105 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 12.8022 4.94983 6.70693 19.5808 13.9365 13.4463 9.17216 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 9.37459 8.41711 5.87555 12.8022 4.94983 6.70693 19.722 13.1463 11.3742 9.40483 numMergedOcc 0
9 mol 152 unq 2 iso 0 dist 9.0847 14.8573 8.56324 12.8022 5.39112 6.59889 19.5808 11.2249 6.62991 9.17216 numMergedOcc 0
10 mol 152 unq 3 iso 0 dist 9.0847 14.8573 8.56324 12.8022 5.39112 6.59889 19.722 13.9298 7.17016 9.40483 numMergedOcc 0
11 mol 152 unq 4 iso 0 dist 9.0847 14.8573 8.56324 13.3531 4.84714 8.9192 19.5808 11.2249 6.62991 9.44172 numMergedOcc 0
12 mol 152 unq 5 iso 0 dist 9.0847 8.41711 6.70283 12.8022 5.39112 6.70693 19.5808 11.2249 13.4463 9.17216 numMergedOcc 0
13 mol 152 unq 6 iso 0 dist 9.0847 8.41711 6.70283 12.8022 5.39112 6.70693 19.722 13.9298 11.3742 9.40483 numMergedOcc 0
14 mol 152 unq 7 iso 0 dist 6.00061 8.41711 8.67331 12.8022 9.67475 6.70693 19.5808 17.5113 13.4463 9.17216 numMergedOcc 0
15 mol 152 unq 8 iso 0 dist 6.00061 8.41711 8.67331 12.8022 9.67475 6.70693 19.722 18.3042 11.3742 9.40483 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 14.976 5.93724 9.01624 18.3782 9.63295 12.5935 8.39573 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.43406 10.9813 7.81386 9.45579 5.71898 9.01624 14.6346 13.3844 12.5935 8.39573 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 8.80581 10.209 7.63312 11.369 5.93724 9.01624 7.11843 9.63295 12.5935 8.39573 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 19.2865 13.514 6.52816 15.3317 10.4618 4.25942 6.75579 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 5.99187 5.87189 7.31233 13.2221 10.3162 9.12776 12.5042 13.8075 7.01206 9.67281 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 13.6039 12.2293 9.46361 15.6561 16.342 11.0067 8.2518 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 13.6039 11.6988 9.46361 15.6561 13.6279 11.0067 8.2518 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 13.5375 10.067 5.85442 15.6561 13.6279 6.18571 8.40328 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 6.20344 10.3156 7.46176 13.6039 11.6988 6.95511 15.6561 13.6279 6.18571 8.2518 numMergedOcc 0
