0 mol 28 unq 0 iso 0 dist 8.77833 7.2551 7.15351 11.5083 9.05939 9.4148 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.77833 7.2551 7.15351 6.81477 9.38747 6.87842 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.73832 7.69222 6.40263 7.87577 6.7939 12.1204 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.73832 7.69222 6.40263 10.5032 6.85356 13.225 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 6.73832 5.82056 6.52486 7.87577 6.7939 10.4722 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 6.73832 5.82056 6.52486 10.5032 6.85356 12.6762 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 6.73832 9.09115 10.9731 7.87577 6.7939 12.7709 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 6.73832 9.09115 10.9731 10.5032 6.85356 16.0368 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 7.85973 7.69222 15.3971 7.87577 8.44695 12.1204 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 7.85973 5.82056 13.0059 7.87577 8.44695 10.4722 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 7.85973 9.09115 14.1533 7.87577 8.44695 12.7709 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 9.69202 5.55218 10.541 5.55092 9.06599 8.99128 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 6.03275 6.95244 11.0173 11.5983 8.44321 16.9011 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 6.03275 6.11224 6.97027 11.5983 8.44321 10.3813 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.79089 5.27578 13.1601 3.82682 9.60838 8.09915 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.92113 6.16832 11.5552 7.38726 9.57625 11.6911 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 8.92113 6.16832 11.5552 10.0087 8.08702 15.2818 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 9.10325 8.94981 16.704 4.37243 7.0412 12.692 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 9.10325 5.90986 10.6864 4.37243 7.0412 9.56254 numMergedOcc 0
19 mol 225 unq 2 iso 0 dist 9.10325 7.50697 13.5014 4.37243 7.0412 8.69052 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 8.50964 6.06665 5.25464 10.1749 7.58907 11.3399 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 8.50964 6.06665 5.25464 10.1749 7.58907 11.3399 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 8.50964 6.06665 5.25464 10.1749 7.58907 11.3399 numMergedOcc 0
