0 mol 7 unq 0 iso 0 dist 8.02892 6.11915 6.14469 10.9761 6.44558 7.11539 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 6.60096 5.01551 7.25951 5.59897 4.47542 7.8304 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 6.60096 8.27744 7.92012 5.59897 4.47542 5.74567 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 4.96613 5.24592 7.14031 9.80586 12.9271 7.67564 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 4.96613 5.24592 7.14031 12.3071 12.2431 8.60103 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 7.78223 9.76297 8.42878 14.016 9.72019 9.58855 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 6.63731 10.0162 8.38606 15.548 10.5909 8.3971 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 6.63731 10.0162 8.38606 11.8445 6.2875 6.74026 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 8.60394 6.63678 5.41575 10.0614 6.65278 8.75305 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 8.60394 10.2316 6.86566 10.0614 6.65278 5.13522 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 5.67112 5.87168 5.94379 8.81753 6.03835 8.90567 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.53805 8.03698 6.21159 6.94326 4.93748 8.53237 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.53805 8.03698 6.21159 10.2224 4.78938 4.65126 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 9.61639 13.4246 5.70795 11.6353 4.66376 6.45143 numMergedOcc 0
14 mol 250 unq 0 iso 0 dist 9.62767 13.7548 9.70149 15.5246 8.13148 5.92578 numMergedOcc 0
15 mol 250 unq 1 iso 0 dist 5.99119 12.1185 9.70149 13.1067 8.13148 5.92578 numMergedOcc 0
16 mol 271 unq 0 iso 0 dist 5.70063 7.0065 5.92274 9.23417 4.17949 6.85471 numMergedOcc 0
