0 mol 33 unq 0 iso 0 dist 8.5865 9.8294 7.71372 4.33242 6.42569 10.837 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.5865 9.8294 7.71372 7.39517 9.13872 14.5217 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 8.5865 9.8294 7.71372 8.75964 7.27307 13.0656 numMergedOcc 0
3 mol 33 unq 3 iso 0 dist 8.5865 9.8294 7.71372 12.4737 5.73206 12.2459 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.54999 9.61711 7.79998 12.4431 9.76585 15.5197 numMergedOcc 0
5 mol 65 unq 0 iso 0 dist 8.7647 9.75927 8.52876 4.24391 5.98248 8.76461 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 5.62903 6.5258 4.87668 4.32161 5.81553 5.17585 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 7.09179 7.55822 10.0812 10.0549 9.62357 11.9697 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.61918 6.53153 6.55423 7.49664 6.9268 10.2159 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.61918 6.53153 6.55423 14.1334 8.19166 13.7051 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 8.61918 6.29975 10.2681 7.49664 6.9268 9.3894 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 8.61918 6.29975 10.2681 14.1334 8.19166 14.1938 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 8.61918 8.29673 13.1011 7.49664 6.9268 14.8299 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 8.61918 8.29673 13.1011 14.1334 8.19166 19.7984 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 9.89646 9.23551 10.2089 10.7499 5.47265 14.5535 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 6.23903 9.09322 8.16006 5.27994 6.0782 12.5879 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 5.89811 7.86668 5.4508 4.04112 5.70065 8.62103 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 9.1947 8.14191 9.08383 7.07563 9.23297 12.3848 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 6.64109 5.89409 6.86214 11.3601 8.5774 14.0295 numMergedOcc 0
19 mol 265 unq 1 iso 0 dist 6.64109 5.89409 6.86214 14.6525 9.94957 12.7122 numMergedOcc 0
20 mol 265 unq 2 iso 0 dist 6.64109 5.89409 6.86214 13.3527 8.01664 13.5872 numMergedOcc 0
21 mol 265 unq 3 iso 0 dist 8.57593 7.45719 6.86214 10.9464 8.5774 14.0295 numMergedOcc 0
22 mol 265 unq 4 iso 0 dist 8.57593 7.45719 6.86214 14.3021 9.94957 12.7122 numMergedOcc 0
23 mol 265 unq 5 iso 0 dist 8.57593 7.45719 6.86214 13.514 8.01664 13.5872 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 9.87771 7.63115 8.00087 15.2458 9.16172 13.8323 numMergedOcc 0
