0 mol 62 unq 0 iso 0 dist 6.09042 8.33049 9.65672 11.2147 9.11512 14.3275 9.29792 7.61377 10.6356 3.90956 numMergedOcc 0
1 mol 102 unq 0 iso 0 dist 7.90927 5.57291 9.22651 11.8843 8.03869 12.1115 13.541 9.51771 10.0473 10.5011 numMergedOcc 0
2 mol 102 unq 1 iso 0 dist 7.90927 6.91222 5.32892 11.8843 8.03869 7.26176 13.541 9.51771 7.08749 10.5011 numMergedOcc 0
3 mol 124 unq 0 iso 0 dist 8.55572 4.91808 9.7589 5.69896 7.18976 7.73112 6.9986 8.50362 11.2407 5.3096 numMergedOcc 0
4 mol 165 unq 0 iso 0 dist 7.22838 9.87383 9.8446 5.97663 6.85551 4.08841 11.6081 9.98689 3.36546 6.21834 numMergedOcc 0
5 mol 165 unq 1 iso 0 dist 7.22838 9.87383 9.8446 5.97663 6.85551 4.08841 10.2485 5.93144 14.9166 11.5982 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 9.35708 10.7753 5.31333 12.3139 9.2254 4.43567 4.92125 8.99777 12.2056 14.1651 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 8.82945 15.0721 8.86627 7.41218 7.36571 8.61606 5.81179 5.03588 9.70184 3.9335 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 8.82945 15.0721 8.86627 16.7139 9.80122 4.25327 5.81179 5.03588 9.70184 10.9472 numMergedOcc 0
9 mol 192 unq 2 iso 0 dist 8.82945 15.0721 8.86627 14.6803 9.17137 4.97164 5.81179 5.03588 9.70184 10.6087 numMergedOcc 0
10 mol 192 unq 3 iso 0 dist 8.82945 12.6382 9.10569 7.41218 7.36571 5.41356 5.81179 5.03588 8.12818 3.9335 numMergedOcc 0
11 mol 192 unq 4 iso 0 dist 8.82945 12.6382 9.10569 16.7139 9.80122 8.1874 5.81179 5.03588 8.12818 10.9472 numMergedOcc 0
12 mol 192 unq 5 iso 0 dist 8.82945 12.6382 9.10569 14.6803 9.17137 4.87986 5.81179 5.03588 8.12818 10.6087 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.58174 10.0944 8.40718 10.9794 6.20044 12.4189 10.816 8.77524 16.6893 6.42785 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.58174 10.0944 8.40718 9.00243 8.41232 12.8445 10.816 8.77524 16.6893 7.66776 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 8.33143 10.8895 7.47852 8.88571 7.65121 5.9027 16.0567 7.78392 11.337 12.4933 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 8.33143 11.8099 6.22332 8.88571 7.65121 4.95393 16.0567 7.78392 7.99586 12.4933 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 7.29081 15.0113 9.80002 12.2394 5.78262 5.87385 10.2633 8.13393 14.1095 8.94124 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 7.29081 15.0113 9.80002 7.5139 7.6489 10.5975 10.2633 8.13393 14.1095 7.92723 numMergedOcc 0
19 mol 273 unq 2 iso 0 dist 7.29081 13.9951 6.73794 12.2394 5.78262 3.92089 10.2633 8.13393 10.5232 8.94124 numMergedOcc 0
20 mol 273 unq 3 iso 0 dist 7.29081 13.9951 6.73794 7.5139 7.6489 12.0094 10.2633 8.13393 10.5232 7.92723 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 4.49395 9.78456 5.76796 9.47966 7.872 11.2606 5.32175 7.08681 10.1123 11.2722 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 4.49395 9.78456 5.76796 9.47966 7.872 11.2606 8.32005 4.95596 7.01472 9.22192 numMergedOcc 0
23 mol 285 unq 2 iso 0 dist 4.49395 9.78456 5.76796 9.47966 7.872 11.2606 7.07384 6.3508 11.0045 8.37376 numMergedOcc 0
24 mol 285 unq 3 iso 0 dist 4.49395 9.78456 5.76796 9.47966 7.872 11.2606 12.2276 8.3005 8.2602 6.76283 numMergedOcc 0
25 mol 285 unq 4 iso 0 dist 4.49395 9.78456 5.76796 6.49869 6.32984 8.7778 5.32175 7.08681 10.1123 3.57803 numMergedOcc 0
26 mol 285 unq 5 iso 0 dist 4.49395 9.78456 5.76796 6.49869 6.32984 8.7778 8.32005 4.95596 7.01472 11.1099 numMergedOcc 0
27 mol 285 unq 6 iso 0 dist 4.49395 9.78456 5.76796 6.49869 6.32984 8.7778 7.07384 6.3508 11.0045 11.5761 numMergedOcc 0
28 mol 285 unq 7 iso 0 dist 4.49395 9.78456 5.76796 6.49869 6.32984 8.7778 12.2276 8.3005 8.2602 11.5053 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 7.22067 8.73403 5.42266 3.65914 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 7.22067 8.73403 5.42266 3.65914 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 7.22067 8.73403 5.42266 3.65914 numMergedOcc 0
