0 mol 10 unq 0 iso 0 dist 8.30413 6.58298 8.13471 12.7255 8.00369 7.50126 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 9.99188 11.1037 4.75776 10.0665 7.75295 5.68983 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 7.63894 6.23206 7.51138 9.64845 7.31784 8.39589 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 7.63894 12.753 9.86843 9.64845 7.31784 6.30226 numMergedOcc 0
4 mol 90 unq 2 iso 0 dist 7.63894 12.3706 6.86146 9.64845 7.31784 7.57639 numMergedOcc 0
5 mol 90 unq 3 iso 0 dist 7.63894 12.9414 8.83296 9.64845 7.31784 4.215 numMergedOcc 0
6 mol 90 unq 4 iso 0 dist 6.17315 6.59471 7.51138 12.0042 7.31784 8.39589 numMergedOcc 0
7 mol 90 unq 5 iso 0 dist 6.17315 12.5885 9.86843 12.0042 7.31784 6.30226 numMergedOcc 0
8 mol 90 unq 6 iso 0 dist 6.17315 9.78924 6.86146 12.0042 7.31784 7.57639 numMergedOcc 0
9 mol 90 unq 7 iso 0 dist 6.17315 14.6058 8.83296 12.0042 7.31784 4.215 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.01303 9.92624 8.48184 5.6019 7.39179 13.3326 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 7.01303 7.6296 9.01011 5.6019 7.39179 9.01596 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.46327 8.69953 5.51624 10.4036 7.62611 11.4196 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 7.46327 8.48621 7.8674 10.4036 7.62611 8.05783 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.48788 5.36923 7.63183 4.17528 6.62972 9.50457 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.92412 12.845 8.26172 12.9359 4.46777 6.52248 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 8.92412 12.845 8.26172 11.5448 6.94988 4.98952 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 6.97579 6.54963 8.26172 4.37003 4.46777 6.52248 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 6.97579 6.54963 8.26172 4.34943 6.94988 4.98952 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 9.60646 16.8694 9.23528 10.23 7.25644 15.9875 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 9.07256 15.1824 7.3546 4.59718 9.79069 15.9955 numMergedOcc 0
21 mol 163 unq 1 iso 0 dist 9.07256 15.1824 7.3546 13.6675 9.27496 5.87447 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.67802 14.8027 8.12349 10.9082 4.5271 6.16503 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 9.67802 14.8027 8.12349 5.48326 7.02575 9.6472 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 9.18314 6.14396 8.12349 9.9497 4.5271 6.16503 numMergedOcc 0
25 mol 186 unq 3 iso 0 dist 9.18314 6.14396 8.12349 10.094 7.02575 9.6472 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 7.84953 13.3105 8.93185 5.95332 8.3087 9.99277 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 4.57726 8.98232 9.06334 5.95332 9.32945 7.21841 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 7.10883 8.96094 6.53728 5.32385 8.20162 6.59663 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.82933 8.76033 6.47194 6.60614 9.91199 8.09074 numMergedOcc 0
