0 mol 7 unq 0 iso 0 dist 9.17764 17.5844 9.97624 5.1316 6.14469 13.0969 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.05244 5.12292 6.96422 5.92892 5.76024 5.4274 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 6.05244 5.12292 6.96422 4.80294 7.92714 8.06296 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 6.05244 5.12292 6.96422 10.6891 8.47217 6.65972 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 8.90496 5.40424 6.93185 10.0083 8.60289 8.23299 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.69142 14.1116 7.3022 13.7478 6.93197 6.78223 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.01993 4.71045 7.22361 11.194 7.35861 7.52321 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 9.01993 14.5668 6.15893 11.194 7.35861 7.26595 numMergedOcc 0
8 mol 26 unq 3 iso 0 dist 8.43523 6.23975 7.3022 11.2171 6.93197 6.78223 numMergedOcc 0
9 mol 46 unq 0 iso 0 dist 8.12513 10.2582 6.61977 5.62202 8.0543 5.99025 numMergedOcc 0
10 mol 46 unq 1 iso 0 dist 6.9762 4.92196 6.61977 10.5748 8.0543 5.99025 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 8.69823 11.8982 7.281 12.6813 8.19993 8.24402 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 5.20528 9.30804 6.05495 12.9555 9.66222 13.3263 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.21813 4.34749 6.0129 6.3915 7.36769 10.2677 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.21813 4.34749 6.0129 5.081 6.88901 5.71029 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 7.89276 13.6222 6.0129 11.0602 7.36769 10.2677 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 7.89276 13.6222 6.0129 14.1992 6.88901 5.71029 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.29665 13.6142 6.87262 5.5502 6.84835 10.6436 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.29665 13.6142 6.87262 8.24649 8.42748 9.01682 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 5.08086 5.97803 6.87262 9.91819 6.84835 10.6436 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 5.08086 5.97803 6.87262 5.16948 8.42748 9.01682 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 7.85849 14.3338 8.55616 6.64576 6.40575 10.6595 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 7.85849 13.386 8.73604 6.64576 6.40575 14.1488 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 6.08299 5.2893 8.55616 5.87436 6.40575 10.6595 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 6.08299 11.8215 8.73604 5.87436 6.40575 14.1488 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 5.42285 5.75246 6.05323 13.6106 8.21184 11.9671 numMergedOcc 0
26 mol 156 unq 1 iso 0 dist 5.42285 5.75246 6.05323 10.3208 5.9976 8.69711 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 8.08581 12.4324 6.54825 5.86896 6.94789 7.96337 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 5.98104 4.25998 6.54825 4.88651 6.94789 7.96337 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 7.87337 5.82541 5.40318 4.80754 8.984 6.88401 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 8.38581 15.2731 9.71152 7.10619 7.00243 9.15303 numMergedOcc 0
31 mol 271 unq 0 iso 0 dist 6.7192 5.84979 5.81266 9.6593 5.92274 4.51983 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 7.64361 6.75676 6.43034 9.95264 8.20644 6.56697 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 6.53769 4.89439 6.61376 10.1686 7.34931 6.76453 numMergedOcc 0
