0 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 4.25144 7.4785 6.39747 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 4.25144 6.39747 7.4785 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 4.59417 9.23438 7.17488 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 6.35756 6.86465 5.35073 4.59417 7.17488 9.23438 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 10.7434 4.86198 6.62699 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 9.78528 9.96708 8.24309 10.7434 6.62699 4.86198 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 4.47193 6.65615 5.07548 numMergedOcc 0
7 mol 88 unq 0 iso 1 dist 8.31336 9.36773 5.57085 4.47193 5.07548 6.65615 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.03572 8.83255 6.59319 4.73066 7.51733 9.01607 numMergedOcc 0
9 mol 95 unq 0 iso 1 dist 8.83255 9.03572 6.59319 4.73066 9.01607 7.51733 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 8.54584 8.53613 4.61027 12.5321 7.97548 9.9291 numMergedOcc 0
11 mol 129 unq 0 iso 1 dist 8.53613 8.54584 4.61027 12.5321 9.9291 7.97548 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 4.05822 8.04118 8.39035 numMergedOcc 0
13 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 4.05822 8.39035 8.04118 numMergedOcc 0
14 mol 142 unq 1 iso 0 dist 5.31024 7.26382 5.50998 4.7832 8.04118 8.39035 numMergedOcc 0
15 mol 142 unq 1 iso 1 dist 7.26382 5.31024 5.50998 4.7832 8.39035 8.04118 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 4.73288 7.59457 9.00072 numMergedOcc 0
17 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 4.73288 9.00072 7.59457 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 4.73288 7.59457 7.55419 numMergedOcc 0
19 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 4.73288 7.55419 7.59457 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 8.87437 7.16148 5.42328 4.70284 7.59457 9.00072 numMergedOcc 0
21 mol 152 unq 2 iso 1 dist 7.16148 8.87437 5.42328 4.70284 9.00072 7.59457 numMergedOcc 0
22 mol 152 unq 3 iso 0 dist 8.87437 8.05741 5.54906 4.70284 7.59457 7.55419 numMergedOcc 0
23 mol 152 unq 3 iso 1 dist 8.05741 8.87437 5.54906 4.70284 7.55419 7.59457 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 4.73288 9.00072 7.55419 numMergedOcc 0
25 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 4.73288 7.55419 9.00072 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 7.16148 8.05741 6.4896 4.70284 9.00072 7.55419 numMergedOcc 0
27 mol 152 unq 3 iso 1 dist 8.05741 7.16148 6.4896 4.70284 7.55419 9.00072 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 7.83734 4.51255 6.23183 numMergedOcc 0
29 mol 206 unq 0 iso 1 dist 9.774 7.7366 5.63422 7.83734 6.23183 4.51255 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 6.19721 7.79063 9.64778 numMergedOcc 0
31 mol 248 unq 0 iso 1 dist 7.21521 7.69895 5.55137 6.19721 9.64778 7.79063 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 8.31064 6.73034 8.02948 6.0222 9.19385 9.1927 numMergedOcc 0
33 mol 253 unq 0 iso 1 dist 6.73034 8.31064 8.02948 6.0222 9.1927 9.19385 numMergedOcc 0
34 mol 253 unq 1 iso 0 dist 8.31064 6.73034 8.02948 6.93212 7.14243 9.60694 numMergedOcc 0
35 mol 253 unq 1 iso 1 dist 6.73034 8.31064 8.02948 6.93212 9.60694 7.14243 numMergedOcc 0
36 mol 253 unq 2 iso 0 dist 8.31064 6.73034 8.02948 10.2118 5.77511 9.27311 numMergedOcc 0
37 mol 253 unq 2 iso 1 dist 6.73034 8.31064 8.02948 10.2118 9.27311 5.77511 numMergedOcc 0
