0 mol 17 unq 0 iso 0 dist 5.41678 7.79465 6.76604 9.13617 8.58468 8.23357 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 5.41678 7.79465 6.76604 5.02127 9.83791 11.5852 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 5.41678 7.79465 6.76604 4.88828 7.95007 12.3685 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.9175 12.4087 8.38139 15.0045 7.99735 5.0573 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.75432 6.37499 8.19721 4.29159 6.30202 9.59858 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.24764 5.40682 7.52742 9.04544 9.37034 4.77114 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.24764 5.40682 7.52742 4.11312 6.60091 4.4924 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.98691 8.21983 6.4081 6.17996 9.11115 4.79997 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 8.87869 14.1129 7.0188 10.394 9.5205 13.2837 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 8.87869 14.1129 7.0188 10.4562 7.1608 8.93863 numMergedOcc 0
10 mol 125 unq 2 iso 0 dist 7.69802 4.65816 7.0188 9.99719 9.5205 13.2837 numMergedOcc 0
11 mol 125 unq 3 iso 0 dist 7.69802 4.65816 7.0188 5.34174 7.1608 8.93863 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 7.01436 10.6955 8.78382 9.01772 9.20977 4.8602 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 5.00508 8.24241 9.64578 7.26324 9.19442 15.2068 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 5.00508 5.3748 7.02833 7.26324 9.19442 5.22517 numMergedOcc 0
15 mol 281 unq 0 iso 0 dist 9.79394 4.88562 9.18565 13.3861 7.90993 9.69803 numMergedOcc 0
16 mol 281 unq 1 iso 0 dist 6.52115 5.91239 9.18565 3.90611 7.90993 9.69803 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 8.62338 5.22713 5.06731 9.62966 4.75392 6.45653 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 8.62338 5.22713 5.06731 13.7068 8.61667 9.67944 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.62338 5.22713 5.06731 9.62966 4.75392 6.45653 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 8.62338 5.22713 5.06731 13.7068 8.61667 9.67944 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.62338 5.22713 5.06731 9.62966 4.75392 6.45653 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 8.62338 5.22713 5.06731 13.7068 8.61667 9.67944 numMergedOcc 0
