0 mol 7 unq 0 iso 0 dist 8.02892 7.39982 9.68596 13.4387 10.1841 9.87885 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 12.7817 4.04519 6.6219 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.65191 12.8297 8.70827 18.3878 13.7009 5.68215 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.65191 7.93303 9.12854 15.1723 9.86385 8.87744 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.65191 7.93303 9.12854 13.3713 10.4353 7.27472 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.69002 11.8565 6.85556 10.6092 6.19011 7.99919 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.78973 7.91078 7.16773 14.3034 9.76482 9.03564 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.45801 4.49951 6.02816 11.748 13.952 8.72682 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.45801 4.49951 6.02816 10.0791 6.26495 6.45841 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.45801 4.49951 6.02816 9.37392 8.26195 5.61588 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.45801 4.49951 6.02816 11.6626 12.382 7.83244 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 7.2131 6.82886 5.37007 9.92138 6.26082 7.13008 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 4.94406 5.0289 7.23884 13.8153 12.82 9.64383 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 7.2337 12.1337 7.23884 11.9765 12.82 9.64383 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 9.1593 12.3004 7.80975 21.6343 15.0328 9.90751 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 9.1593 12.3004 7.80975 18.3594 12.48 9.21662 numMergedOcc 0
16 mol 108 unq 0 iso 0 dist 8.06774 12.692 9.01852 12.6103 10.2851 7.93045 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 5.58734 6.83988 8.00003 14.5277 12.3661 8.95212 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 5.96506 5.96312 7.90048 11.2859 6.39648 9.98797 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 13.1485 12.207 7.36975 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.75595 11.2897 7.78652 14.8595 10.0079 5.40637 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 9.62138 12.9372 6.46461 13.3989 3.87512 6.41689 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 5.11444 7.24951 6.46461 8.61415 3.87512 6.41689 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 9.69399 12.5567 9.67741 13.2247 5.43662 7.20495 numMergedOcc 0
24 mol 167 unq 1 iso 0 dist 9.69399 12.5567 9.67741 14.9124 8.91275 9.2289 numMergedOcc 0
25 mol 167 unq 2 iso 0 dist 9.69399 12.5567 9.67741 11.7438 5.95858 7.02548 numMergedOcc 0
26 mol 219 unq 0 iso 0 dist 9.30312 10.0509 7.59632 8.38773 5.75906 4.33238 numMergedOcc 0
27 mol 223 unq 0 iso 0 dist 6.64193 4.67731 7.48463 8.85178 10.5752 6.42257 numMergedOcc 0
28 mol 223 unq 1 iso 0 dist 6.64193 4.67731 7.48463 9.73123 3.86668 9.33543 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 13.7767 11.2243 6.71524 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.43474 5.0871 7.10685 9.53006 5.37176 9.07475 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 9.43474 5.0871 7.10685 6.83837 6.65214 6.99888 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 9.69025 5.71237 7.98231 12.5187 4.10176 9.46361 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 9.69025 11.8501 7.08526 13.565 4.47425 5.85442 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 9.69025 11.8501 7.08526 12.5187 4.10176 6.95511 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 8.16582 9.36068 7.23721 11.76 4.05042 7.24366 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 8.9316 12.3119 9.65934 12.802 5.97664 7.45616 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 8.9316 12.3119 9.65934 12.802 5.97664 7.45616 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 8.9316 12.3119 9.65934 12.802 5.97664 7.45616 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 9.46421 7.70348 9.88863 11.5098 3.92782 9.74118 numMergedOcc 0
