0 mol 58 unq 0 iso 0 dist 8.98939 8.89982 7.27383 10.638 6.21346 6.79356 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 8.64047 13.4816 8.00777 9.27814 4.06365 9.01812 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.53164 9.40516 6.49956 14.6841 12.8901 8.85601 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 8.28541 4.41283 7.71107 8.51084 12.2445 9.06601 numMergedOcc 0
4 mol 111 unq 1 iso 0 dist 8.28541 4.41283 7.71107 5.53271 3.75797 5.98809 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 8.92412 4.37081 6.69515 10.0082 10.7652 7.46621 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 6.97579 10.5394 6.69515 12.5076 10.7652 7.46621 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 9.60646 8.07266 5.49226 12.1123 7.88487 8.39897 numMergedOcc 0
8 mol 163 unq 0 iso 0 dist 7.67051 7.75508 8.38738 17.5919 15.2764 9.90947 numMergedOcc 0
9 mol 163 unq 1 iso 0 dist 7.67051 7.75508 8.38738 15.56 12.99 8.16252 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 8.56251 4.51874 4.92088 6.3472 8.56547 4.72821 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 9.96728 7.24106 6.60567 12.8522 11.5264 6.59544 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 7.84953 5.09263 5.76954 6.46335 11.2216 7.84952 numMergedOcc 0
13 mol 218 unq 1 iso 0 dist 4.57726 5.09263 6.29511 6.46335 5.46009 7.84952 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 7.92391 4.97892 7.71657 11.727 5.48178 8.97531 numMergedOcc 0
15 mol 294 unq 0 iso 0 dist 4.37724 9.41638 7.91611 7.58948 4.65086 8.88595 numMergedOcc 0
