0 mol 7 unq 0 iso 0 dist 9.60499 7.5706 10.5551 6.7985 6.55304 5.82034 9.0379 10.6581 6.28925 9.68596 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60499 7.5706 10.5551 6.7985 6.55304 5.82034 15.4949 18.3807 8.70159 12.9581 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.60499 7.5706 10.5551 6.44736 12.2869 5.28462 9.0379 10.6581 6.28925 10.7018 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.60499 7.5706 10.5551 6.44736 12.2869 5.28462 15.4949 18.3807 8.70159 10.2313 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 8.41585 6.28925 10.6847 9.68596 14.7759 5.82034 9.0379 16.7601 7.5706 6.7985 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 8.41585 6.28925 10.6847 9.68596 14.7759 5.82034 13.2247 12.2333 8.70159 12.9581 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 7.48342 4.39605 6.25997 5.17568 10.4158 8.63502 11.2317 numMergedOcc 0
7 mol 15 unq 1 iso 0 dist 9.97507 7.876 8.20465 7.48342 12.1303 6.25997 5.17568 6.82505 8.63502 11.2317 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.80331 6.79185 11.1338 8.95682 6.18002 7.95596 5.06502 10.5523 8.92291 12.3649 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.80331 6.79185 11.1338 8.95682 6.18002 7.95596 6.45462 14.7803 8.37962 14.3789 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 6.20293 6.79185 5.54797 8.95682 8.38399 7.95596 5.06502 5.73819 8.92291 12.3649 numMergedOcc 0
11 mol 43 unq 3 iso 0 dist 6.20293 6.79185 5.54797 8.95682 8.38399 7.95596 6.45462 8.93915 8.37962 14.3789 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.83299 9.22021 8.17454 6.14538 4.29856 11.3729 5.08001 9.5589 7.56581 10.6808 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 7.80975 7.97897 4.71426 10.8586 10.9461 8.20656 7.10378 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 7.17106 8.20656 8.07089 7.10378 10.6848 4.71426 10.8586 10.1489 4.5985 7.80975 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.73993 6.69217 11.3981 6.52773 7.20179 7.03042 9.93257 16.4353 9.70093 9.87889 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.73993 6.69217 11.3981 9.23858 9.89358 10.0127 9.93257 16.4353 9.70093 18.192 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 6.18601 9.70093 10.6133 8.00003 10.4376 4.2439 9.93257 9.72413 6.69217 9.77873 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 7.11802 9.64695 6.56917 9.22232 16.0138 15.8925 8.18495 8.00618 4.51266 12.7901 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 7.11802 9.64695 6.56917 9.22661 5.92062 12.4336 8.18495 8.00618 4.51266 13.5028 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 7.11802 9.64695 6.56917 7.56378 6.61891 9.98416 8.18495 8.00618 4.51266 11.8433 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 7.7366 5.52084 9.81596 6.16414 6.45859 9.78738 7.73294 13.9342 4.90825 13.2971 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 7.7366 5.52084 9.81596 7.33701 4.40897 7.21306 7.73294 13.9342 4.90825 12.0016 numMergedOcc 0
23 mol 206 unq 2 iso 0 dist 7.7366 5.52084 9.81596 8.0871 7.62219 4.91529 7.73294 13.9342 4.90825 9.53164 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 8.34494 7.72403 10.3378 9.81425 4.3717 10.8078 5.88703 12.9605 6.35438 13.293 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 8.34494 7.72403 10.3378 9.81425 4.3717 10.8078 15.2225 19.889 9.57132 20.0612 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 6.56247 7.72403 8.83842 9.81425 4.46561 10.8078 5.88703 9.45496 6.35438 13.293 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 6.56247 7.72403 8.83842 9.81425 4.46561 10.8078 15.2225 17.458 9.57132 20.0612 numMergedOcc 0
28 mol 234 unq 4 iso 0 dist 9.36357 7.72403 5.43327 9.81425 10.641 10.8078 5.88703 6.7625 6.35438 13.293 numMergedOcc 0
29 mol 234 unq 5 iso 0 dist 9.36357 7.72403 5.43327 9.81425 10.641 10.8078 15.2225 10.701 9.57132 20.0612 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 7.56915 6.32856 11.5556 9.85289 6.20558 13.6849 9.15171 13.9359 8.11169 12.2077 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 8.49997 6.32856 13.5073 9.85289 11.4459 13.6849 9.15171 17.2858 8.11169 12.2077 numMergedOcc 0
