0 mol 7 unq 0 iso 0 dist 6.10226 8.88982 5.70161 13.9585 12.2471 7.10621 9.83056 10.2796 6.09254 7.21217 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.80034 8.88982 4.57188 13.9585 10.2729 7.10621 9.83056 5.38328 6.09254 7.21217 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.49518 6.60918 6.25083 5.05215 9.04385 4.86568 10.7526 9.60445 5.64581 6.29703 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 7.98333 8.19077 9.58231 6.12182 12.6659 7.50293 9.81175 9.56267 7.35595 9.23576 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.7267 7.00798 6.37892 5.57978 11.8905 8.54584 10.7832 14.7747 11.5533 6.29026 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 9.59193 9.0847 14.0443 14.8573 22.0387 8.56324 21.5487 26.256 13.2491 8.89982 numMergedOcc 0
6 mol 178 unq 0 iso 0 dist 8.71294 5.41229 5.13245 4.51874 10.8927 6.69288 9.32502 17.0998 12.2822 8.0974 numMergedOcc 0
7 mol 178 unq 1 iso 0 dist 8.71294 8.57378 9.05082 4.51874 10.8927 6.43573 9.32502 17.0998 12.4338 8.0974 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 9.47309 8.47457 13.2364 8.1404 9.2491 6.60589 15.6817 14.4585 9.36962 9.79616 numMergedOcc 0
9 mol 224 unq 1 iso 0 dist 9.47309 8.47457 13.2364 15.1783 17.4981 9.16166 15.3716 17.4513 7.18448 9.29703 numMergedOcc 0
10 mol 234 unq 0 iso 0 dist 7.37405 6.15754 6.00143 12.4455 10.6898 6.56247 10.3522 6.9396 4.74041 5.89084 numMergedOcc 0
11 mol 234 unq 1 iso 0 dist 7.37405 6.15754 6.00143 14.0876 14.5683 9.36357 10.3522 6.9396 4.74041 8.47009 numMergedOcc 0
12 mol 234 unq 2 iso 0 dist 7.37405 8.9413 9.8423 12.4455 10.6898 9.45496 10.3522 6.9396 6.16697 5.89084 numMergedOcc 0
13 mol 234 unq 3 iso 0 dist 7.37405 8.9413 9.8423 14.0876 14.5683 6.7625 10.3522 6.9396 6.16697 8.47009 numMergedOcc 0
14 mol 234 unq 4 iso 0 dist 9.42966 6.6281 6.00143 10.0624 10.6898 6.56247 11.0631 6.9396 4.74041 5.89084 numMergedOcc 0
15 mol 234 unq 5 iso 0 dist 9.42966 6.6281 6.00143 13.9869 14.5683 9.36357 11.0631 6.9396 4.74041 8.47009 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 7.76984 6.92721 11.4465 9.00069 15.8376 6.16342 5.62744 10.5674 5.29737 6.37342 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 8.87598 6.20344 11.1778 10.3156 15.0974 7.46176 18.0859 21.2498 14.8465 7.93997 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 5.72197 7.34596 4.58403 4.36798 5.67266 8.76532 9.24294 6.38894 10.5698 5.80981 numMergedOcc 0
19 mol 282 unq 1 iso 0 dist 5.72197 7.34596 4.58403 4.36798 5.67266 8.76532 11.6773 12.9312 13.108 9.63346 numMergedOcc 0
20 mol 282 unq 2 iso 0 dist 5.72197 7.12228 5.04235 4.36798 5.67266 6.33524 9.24294 6.38894 8.37652 5.80981 numMergedOcc 0
21 mol 282 unq 3 iso 0 dist 5.72197 7.12228 5.04235 4.36798 5.67266 6.33524 11.6773 12.9312 8.85797 9.63346 numMergedOcc 0
