0 mol 4 unq 0 iso 0 dist 5.30385 11.0787 9.16617 5.60295 6.42755 6.29581 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.88546 5.63041 5.89412 12.7322 6.03257 9.75966 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 6.88546 13.452 7.07399 12.7322 6.03257 4.39605 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.3964 14.959 8.4051 11.3328 6.72323 12.176 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.3964 7.79468 7.29868 11.3328 6.72323 6.66749 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.3964 9.85198 8.60554 11.3328 6.72323 14.012 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.04272 10.0675 9.90939 11.6385 8.97364 5.94827 numMergedOcc 0
7 mol 65 unq 0 iso 0 dist 8.54555 10.2068 6.72639 10.8649 5.94206 5.51708 numMergedOcc 0
8 mol 65 unq 1 iso 0 dist 8.54555 5.38234 6.76508 10.8649 5.94206 6.47381 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.66506 12.8388 9.24757 12.6525 8.87464 6.29906 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.18097 10.5346 9.82915 5.25569 9.66222 10.4987 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.83135 18.2314 9.82915 16.1324 9.66222 10.4987 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 6.93893 14.4094 9.30539 12.671 8.66165 4.57085 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 6.56978 13.2001 7.80975 12.6896 9.5057 5.42531 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 6.56978 13.2001 7.80975 9.19586 5.75014 4.86592 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 6.56978 6.23541 7.10378 12.6896 9.5057 8.4128 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 6.56978 6.23541 7.10378 9.19586 5.75014 7.96533 numMergedOcc 0
17 mol 125 unq 0 iso 0 dist 7.00113 5.759 8.76789 6.22139 6.11502 6.40824 numMergedOcc 0
18 mol 125 unq 1 iso 0 dist 7.00113 6.06241 7.73435 6.22139 6.11502 9.20086 numMergedOcc 0
19 mol 125 unq 2 iso 0 dist 9.85979 5.759 9.08382 6.22139 6.33431 6.40824 numMergedOcc 0
20 mol 125 unq 3 iso 0 dist 9.85979 6.06241 9.3778 6.22139 6.33431 9.20086 numMergedOcc 0
21 mol 125 unq 4 iso 0 dist 9.85979 13.5623 7.47069 6.22139 6.33431 9.44075 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 7.32407 5.99695 9.36851 5.9261 9.73158 4.55551 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 6.48695 5.99695 4.97175 5.9261 7.59327 4.55551 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 6.4751 8.67611 6.64834 5.72737 7.22518 6.45673 numMergedOcc 0
25 mol 171 unq 1 iso 0 dist 6.4751 8.67611 6.64834 6.4423 5.25109 4.78075 numMergedOcc 0
26 mol 171 unq 2 iso 0 dist 6.4751 9.28655 5.93786 5.72737 7.22518 5.48551 numMergedOcc 0
27 mol 171 unq 3 iso 0 dist 6.4751 9.28655 5.93786 6.4423 5.25109 7.9651 numMergedOcc 0
28 mol 171 unq 4 iso 0 dist 6.4751 10.4021 8.24693 5.72737 7.22518 8.05069 numMergedOcc 0
29 mol 171 unq 5 iso 0 dist 6.4751 10.4021 8.24693 6.4423 5.25109 12.6853 numMergedOcc 0
30 mol 171 unq 6 iso 0 dist 6.4751 11.8046 7.36698 5.72737 7.22518 11.2785 numMergedOcc 0
31 mol 171 unq 7 iso 0 dist 6.4751 11.8046 7.36698 6.4423 5.25109 5.90026 numMergedOcc 0
32 mol 171 unq 8 iso 0 dist 5.75085 9.28655 8.1344 5.72737 7.58499 5.48551 numMergedOcc 0
33 mol 171 unq 9 iso 0 dist 5.75085 9.28655 8.1344 6.4423 8.21618 7.9651 numMergedOcc 0
34 mol 171 unq 10 iso 0 dist 5.75085 10.4021 6.71356 5.72737 7.58499 8.05069 numMergedOcc 0
35 mol 171 unq 11 iso 0 dist 5.75085 10.4021 6.71356 6.4423 8.21618 12.6853 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 8.09776 10.977 6.72379 4.44921 6.38324 7.11753 numMergedOcc 0
37 mol 194 unq 1 iso 0 dist 5.4455 13.445 8.65535 4.44921 6.1886 11.6598 numMergedOcc 0
38 mol 194 unq 2 iso 0 dist 6.57575 11.4562 6.72379 8.8996 6.38324 7.11753 numMergedOcc 0
39 mol 194 unq 3 iso 0 dist 9.30761 5.55582 6.72379 8.70006 6.38324 7.11753 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 8.27761 10.1991 8.50102 8.33098 9.78181 6.2188 numMergedOcc 0
41 mol 232 unq 1 iso 0 dist 8.27761 10.1991 8.50102 17.7633 9.8664 12.3508 numMergedOcc 0
42 mol 232 unq 2 iso 0 dist 8.27761 13.7819 9.40808 8.33098 9.78181 12.5452 numMergedOcc 0
43 mol 232 unq 3 iso 0 dist 8.27761 13.7819 9.40808 17.7633 9.8664 8.80479 numMergedOcc 0
44 mol 232 unq 4 iso 0 dist 9.25162 16.9877 9.05071 15.3266 9.8664 4.9377 numMergedOcc 0
45 mol 244 unq 0 iso 0 dist 9.97458 10.5547 5.50492 12.5433 7.95359 7.6169 numMergedOcc 0
46 mol 244 unq 1 iso 0 dist 9.97458 10.5547 5.50492 14.3743 6.22122 5.17744 numMergedOcc 0
47 mol 271 unq 0 iso 0 dist 5.75889 9.63302 9.70714 6.38496 5.92274 8.66946 numMergedOcc 0
48 mol 271 unq 1 iso 0 dist 7.03848 7.30308 9.70714 9.47905 5.92274 8.66946 numMergedOcc 0
