0 mol 33 unq 0 iso 0 dist 8.37901 7.11991 6.72365 7.99091 7.07421 7.82815 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.84944 7.20713 6.57633 9.79678 4.22382 9.04117 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.84944 7.20713 6.57633 10.5349 8.43173 6.34215 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 7.21995 6.53557 6.57633 11.2099 4.22382 9.04117 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 7.21995 6.53557 6.57633 11.0067 8.43173 6.34215 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.61089 9.62824 6.30814 16.1311 9.88522 7.7288 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.64686 5.21981 6.30814 4.52157 9.88522 7.7288 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.57394 4.41928 5.58681 11.9912 11.0751 8.52436 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 6.94745 7.05332 8.40461 7.73306 8.91031 8.62632 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.65031 7.28039 7.94976 10.149 4.57152 9.21757 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 9.65031 7.28039 7.94976 11.0065 10.0143 6.75471 numMergedOcc 0
11 mol 152 unq 2 iso 0 dist 8.51844 5.51498 7.94976 11.7308 4.57152 9.21757 numMergedOcc 0
12 mol 152 unq 3 iso 0 dist 8.51844 5.51498 7.94976 10.8934 10.0143 6.75471 numMergedOcc 0
13 mol 157 unq 0 iso 0 dist 6.8976 5.332 8.9078 6.18988 4.87585 8.8201 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.72718 13.4486 8.09915 9.80138 3.82682 5.27578 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 6.72718 13.4486 8.09915 5.65146 4.84679 8.25953 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 7.2833 6.01032 6.65077 10.0267 10.5362 7.75518 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.43519 6.31671 7.53734 14.0191 17.3532 9.867 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 8.05949 10.8542 7.80421 17.1927 12.1997 8.25288 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 8.8113 6.97024 7.71863 15.0192 13.611 9.09697 numMergedOcc 0
20 mol 255 unq 0 iso 0 dist 9.40767 7.45603 5.88708 7.20562 4.03201 7.58813 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 9.0836 7.90149 8.9221 11.9532 5.60874 7.97711 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 9.62494 7.90149 9.51145 11.9532 5.50447 7.97711 numMergedOcc 0
