0 mol 20 unq 0 iso 0 dist 8.36009 4.9398 9.98157 12.1601 8.26091 12.9008 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.42968 11.794 9.7649 4.30555 8.25818 10.5243 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.42968 10.0482 6.5268 4.30555 8.25818 10.2093 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 8.33405 10.7512 9.56838 9.36667 9.13228 11.1855 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 9.83758 10.1386 6.33923 11.2375 4.91212 3.83194 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 9.83758 10.1386 6.33923 6.87591 9.34782 5.56913 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 6.36631 8.94648 9.44 5.86518 5.31126 12.8761 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 6.36631 8.94648 9.44 4.8668 4.49669 7.68828 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 6.36631 8.94648 9.44 8.60367 6.00221 8.44413 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 6.24308 8.94648 8.47634 5.86518 7.16619 12.8761 numMergedOcc 0
10 mol 113 unq 4 iso 0 dist 6.24308 8.94648 8.47634 4.8668 5.88896 7.68828 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 8.83566 4.86088 6.98134 6.28158 6.55227 4.26914 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 8.83566 5.28258 8.55413 6.28158 6.55227 9.53399 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 8.0889 7.08572 5.56598 8.14689 7.84207 8.24077 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 8.0889 7.08572 5.56598 5.74365 8.56947 3.79384 numMergedOcc 0
15 mol 120 unq 2 iso 0 dist 8.0889 9.04066 5.39792 8.14689 7.84207 5.56137 numMergedOcc 0
16 mol 120 unq 3 iso 0 dist 8.0889 9.04066 5.39792 5.74365 8.56947 6.80121 numMergedOcc 0
17 mol 120 unq 4 iso 0 dist 8.0889 12.7217 7.00542 8.14689 7.84207 7.75617 numMergedOcc 0
18 mol 120 unq 5 iso 0 dist 8.0889 12.7217 7.00542 5.74365 8.56947 10.6431 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 5.96324 8.8506 7.53591 6.34139 5.60448 4.40012 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 5.96324 6.24568 8.34503 6.34139 5.60448 3.48408 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 9.32969 6.00534 4.55528 7.35757 5.10542 4.02402 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 9.32969 11.2465 6.88386 7.35757 5.10542 8.31549 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 8.47283 14.9493 9.98617 10.816 9.93489 6.82158 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 8.47283 14.9493 9.98617 4.27546 7.64057 11.8793 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 4.54064 5.49565 9.11501 8.11438 7.04263 9.99682 numMergedOcc 0
26 mol 260 unq 1 iso 0 dist 4.54064 5.49565 9.11501 3.43932 6.48099 7.52009 numMergedOcc 0
27 mol 281 unq 0 iso 0 dist 9.73306 8.77165 7.43535 12.2582 7.90368 3.86368 numMergedOcc 0
28 mol 281 unq 1 iso 0 dist 7.8046 5.25454 7.43535 7.60311 7.90368 3.86368 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.27196 10.9751 8.15636 4.69872 6.24487 11.4888 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.27196 10.9751 8.15636 4.69872 6.24487 11.4888 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.27196 10.9751 8.15636 4.69872 6.24487 11.4888 numMergedOcc 0
