0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.68596 14.7759 13.0969 9.87885 12.8323 7.92429 10.1841 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.31767 7.685 8.43188 8.6653 5.64303 12.9735 7.6114 6.10919 7.1845 10.8122 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.03987 7.685 10.3635 8.6653 5.82503 12.9735 7.6114 5.86705 7.1845 10.8122 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.62496 9.64665 4.67832 5.93884 5.78774 5.27642 9.22598 9.87158 8.59939 5.66912 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 8.96727 9.87158 14.6599 5.66912 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 8.01308 5.86526 9.47022 5.76523 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 9.27838 15.434 4.67641 7.12321 4.27726 9.88768 14.005 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 9.27838 11.6378 4.67641 7.12321 7.47371 9.88768 14.005 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 6.45675 8.72704 7.2495 7.38135 7.11701 11.0949 7.82475 5.43561 12.5061 7.55779 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 6.45675 8.72704 7.2495 7.38135 7.11701 11.0949 5.35782 6.30222 12.1093 8.00947 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 7.47343 8.72704 10.1589 7.38135 11.2312 11.0949 7.82475 5.9143 12.5061 7.55779 numMergedOcc 0
11 mol 100 unq 3 iso 0 dist 7.47343 8.72704 10.1589 7.38135 11.2312 11.0949 5.35782 5.47563 12.1093 8.00947 numMergedOcc 0
12 mol 100 unq 4 iso 0 dist 8.86688 8.72704 15.9331 7.38135 7.79768 11.0949 7.82475 5.25234 12.5061 7.55779 numMergedOcc 0
13 mol 100 unq 5 iso 0 dist 8.86688 8.72704 15.9331 7.38135 7.79768 11.0949 5.35782 5.03232 12.1093 8.00947 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 7.80523 7.74599 6.89298 7.07971 4.69373 5.15674 5.92927 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.87651 8.62646 6.58937 9.67741 13.0123 7.31643 7.20495 7.87971 4.15547 5.43662 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 9.87651 8.62646 6.58937 9.67741 13.0123 7.31643 9.2289 12.0033 7.0046 8.91275 numMergedOcc 0
17 mol 167 unq 2 iso 0 dist 9.87651 8.62646 6.58937 9.67741 13.0123 7.31643 7.02548 11.6011 6.24722 5.95858 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 9.39352 7.27408 7.60254 9.63417 11.0361 4.14392 6.43397 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 5.94469 7.77758 8.93991 6.64173 6.8757 4.48306 4.98436 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.81386 7.98142 9.53462 5.94469 7.77758 8.93991 9.01624 5.71898 12.2513 11.9796 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 7.81386 7.98142 9.53462 5.94469 7.77758 8.93991 9.55105 5.83796 10.2172 12.3589 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 5.94469 7.77758 5.35588 6.64173 6.8757 4.88823 4.98436 numMergedOcc 0
23 mol 181 unq 4 iso 0 dist 7.81386 7.37327 11.1462 5.94469 7.77758 5.35588 9.01624 5.71898 14.8923 11.9796 numMergedOcc 0
24 mol 181 unq 5 iso 0 dist 7.81386 7.37327 11.1462 5.94469 7.77758 5.35588 9.55105 5.83796 14.2334 12.3589 numMergedOcc 0
25 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 5.94469 12.5387 8.93991 6.64173 10.6474 4.48306 4.98436 numMergedOcc 0
26 mol 181 unq 7 iso 0 dist 7.63312 7.98142 9.60512 5.94469 12.5387 8.93991 9.01624 5.93724 12.2513 11.9796 numMergedOcc 0
27 mol 181 unq 8 iso 0 dist 7.63312 7.98142 9.60512 5.94469 12.5387 8.93991 9.55105 5.12833 10.2172 12.3589 numMergedOcc 0
28 mol 181 unq 9 iso 0 dist 7.63312 7.37327 13.3389 5.94469 12.5387 5.35588 6.64173 10.6474 4.88823 4.98436 numMergedOcc 0
29 mol 181 unq 10 iso 0 dist 7.63312 7.37327 13.3389 5.94469 12.5387 5.35588 9.01624 5.93724 14.8923 11.9796 numMergedOcc 0
30 mol 181 unq 11 iso 0 dist 7.63312 7.37327 13.3389 5.94469 12.5387 5.35588 9.55105 5.12833 14.2334 12.3589 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 7.10633 5.90931 5.09262 9.68728 7.67571 11.145 7.9133 10.7169 11.2106 14.0756 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 8.51516 5.90931 12.9483 9.68728 10.8573 11.145 7.9133 5.57347 11.2106 14.0756 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 6.03031 9.19704 8.66809 6.03688 8.15057 14.6029 6.52816 9.49403 13.4094 5.28417 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 6.03688 12.4957 14.6029 6.52816 13.514 13.4094 5.28417 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 7.80463 9.19704 13.231 6.03688 6.09749 14.6029 6.52816 3.56269 13.4094 5.28417 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 5.72887 9.29858 13.069 9.24557 14.7883 10.3809 9.72188 7.06793 11.7938 17.1065 numMergedOcc 0
