0 mol 6 unq 0 iso 0 dist 9.0451 11.2284 7.54484 14.8275 9.62952 8.17981 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 7.12528 13.9971 7.54484 15.1607 9.62952 8.17981 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 6.50444 9.87224 7.74463 7.99404 5.04413 7.3489 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.63973 7.7047 6.14248 12.1652 8.66335 7.02854 numMergedOcc 0
4 mol 128 unq 0 iso 0 dist 7.95999 6.22373 9.66537 5.4772 8.13018 8.94995 numMergedOcc 0
5 mol 128 unq 1 iso 0 dist 9.45412 14.238 9.66537 13.2451 8.13018 8.94995 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 6.53559 11.236 8.85652 10.2254 4.79473 7.07421 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 8.09774 5.0466 8.85652 8.63018 4.79473 7.07421 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 5.82945 7.43279 9.67398 11.9351 9.69908 7.9663 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.76097 5.57746 5.9959 5.68599 6.95933 5.12189 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.76097 5.57746 5.9959 12.0133 5.30466 7.50126 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.13697 8.22726 5.20195 13.5964 4.77133 7.85526 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 9.13697 8.22726 5.20195 9.49104 4.56331 5.33543 numMergedOcc 0
13 mol 146 unq 0 iso 0 dist 6.93154 11.6962 5.50187 11.5599 6.11221 5.36826 numMergedOcc 0
14 mol 146 unq 1 iso 0 dist 6.93154 11.6962 5.50187 13.5622 8.01939 8.50225 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.81212 4.62126 9.21757 11.0247 5.46646 9.57285 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.51523 5.24208 9.67711 10.111 12.6471 9.47945 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 9.74779 7.00921 8.3704 9.52151 5.05436 4.67452 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.13727 6.31101 9.67281 9.25424 12.4194 5.57184 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.56975 4.13744 9.67281 9.46728 12.4194 5.57184 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.96523 6.54316 7.98794 8.68803 3.80345 9.59937 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 4.95855 6.92619 8.40328 7.97113 10.2743 8.91916 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 4.95855 6.92619 8.40328 5.22111 7.06301 4.55368 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 7.72489 6.92619 8.2518 7.97113 11.46 8.91916 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 7.72489 6.92619 8.2518 5.22111 7.80863 4.55368 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 6.22195 6.31111 4.93584 13.2523 7.58368 9.58577 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 6.22195 5.57126 5.60245 13.2523 7.58368 9.56469 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 7.78796 11.5719 7.32002 12.4233 6.61186 8.12294 numMergedOcc 0
