0 mol 73 unq 0 iso 0 dist 8.4515 3.97569 6.23522 12.4903 9.10566 11.8291 numMergedOcc 0
1 mol 73 unq 0 iso 1 dist 8.4515 12.4903 9.10566 3.97569 6.23522 11.8291 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.4515 3.97569 6.23522 5.99117 9.62027 5.75196 numMergedOcc 0
3 mol 73 unq 1 iso 1 dist 8.4515 5.99117 9.62027 3.97569 6.23522 5.75196 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.4515 12.4903 9.10566 5.99117 9.62027 16.8676 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 8.4515 5.99117 9.62027 12.4903 9.10566 16.8676 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.04673 4.73713 5.42067 4.36394 7.36435 5.04493 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 5.04673 4.36394 7.36435 4.73713 5.42067 5.04493 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 7.74924 5.77535 7.51733 9.35848 9.01607 6.59319 numMergedOcc 0
9 mol 95 unq 0 iso 1 dist 7.74924 9.35848 9.01607 5.77535 7.51733 6.59319 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.42225 7.38295 4.80684 15.0071 7.60162 8.61848 numMergedOcc 0
11 mol 119 unq 0 iso 1 dist 8.42225 15.0071 7.60162 7.38295 4.80684 8.61848 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 7.84813 5.56946 7.97548 6.4379 9.9291 4.61027 numMergedOcc 0
13 mol 129 unq 0 iso 1 dist 7.84813 6.4379 9.9291 5.56946 7.97548 4.61027 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 7.84813 5.56946 7.97548 6.10584 7.32151 10.5871 numMergedOcc 0
15 mol 129 unq 1 iso 1 dist 7.84813 6.10584 7.32151 5.56946 7.97548 10.5871 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 7.84813 6.4379 9.9291 6.10584 7.32151 10.678 numMergedOcc 0
17 mol 129 unq 1 iso 1 dist 7.84813 6.10584 7.32151 6.4379 9.9291 10.678 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 6.48066 6.59758 7.48734 5.81821 5.6125 7.50884 numMergedOcc 0
19 mol 168 unq 0 iso 1 dist 6.48066 5.81821 5.6125 6.59758 7.48734 7.50884 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 7.49754 7.78293 8.82761 4.67262 4.66576 5.45334 numMergedOcc 0
21 mol 213 unq 0 iso 1 dist 7.49754 4.67262 4.66576 7.78293 8.82761 5.45334 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.71119 11.8779 9.19385 15.4152 9.1927 8.02948 numMergedOcc 0
23 mol 253 unq 0 iso 1 dist 8.71119 15.4152 9.1927 11.8779 9.19385 8.02948 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 9.60767 6.71528 6.76495 11.6193 5.4557 5.55477 numMergedOcc 0
25 mol 258 unq 0 iso 1 dist 9.60767 11.6193 5.4557 6.71528 6.76495 5.55477 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 8.72101 4.88964 9.54359 6.76786 5.69112 5.59609 numMergedOcc 0
27 mol 277 unq 0 iso 1 dist 8.72101 6.76786 5.69112 4.88964 9.54359 5.59609 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.24013 10.9928 5.72327 10.8591 5.81301 5.44531 numMergedOcc 0
29 mol 277 unq 1 iso 1 dist 8.24013 10.8591 5.81301 10.9928 5.72327 5.44531 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 8.24013 10.9928 5.72327 12.5803 9.81201 6.39504 numMergedOcc 0
31 mol 277 unq 2 iso 1 dist 8.24013 12.5803 9.81201 10.9928 5.72327 6.39504 numMergedOcc 0
32 mol 277 unq 2 iso 0 dist 8.24013 10.8591 5.81301 12.5803 9.81201 5.13739 numMergedOcc 0
33 mol 277 unq 2 iso 1 dist 8.24013 12.5803 9.81201 10.8591 5.81301 5.13739 numMergedOcc 0
34 mol 277 unq 3 iso 0 dist 5.11998 14.2115 9.54359 10.8075 5.69112 5.59609 numMergedOcc 0
35 mol 277 unq 3 iso 1 dist 5.11998 10.8075 5.69112 14.2115 9.54359 5.59609 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 7.84189 7.19628 5.30118 11.7959 8.98698 4.8356 numMergedOcc 0
37 mol 287 unq 0 iso 1 dist 7.84189 11.7959 8.98698 7.19628 5.30118 4.8356 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 7.84189 7.19628 5.30118 11.7959 8.98698 4.8356 numMergedOcc 0
39 mol 288 unq 0 iso 1 dist 7.84189 11.7959 8.98698 7.19628 5.30118 4.8356 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 7.84189 7.19628 5.30118 11.7959 8.98698 4.8356 numMergedOcc 0
41 mol 289 unq 0 iso 1 dist 7.84189 11.7959 8.98698 7.19628 5.30118 4.8356 numMergedOcc 0
