0 mol 28 unq 0 iso 0 dist 7.7871 11.0435 9.2146 11.1346 8.53424 16.4255 14.4056 8.89273 9.4148 16.9644 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.7871 11.0435 9.2146 11.1346 8.53424 16.4255 14.203 8.10455 6.87842 15.1706 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 7.7871 11.0435 9.2146 10.8275 7.08766 16.0765 14.4056 8.89273 9.4148 14.7676 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.7871 11.0435 9.2146 10.8275 7.08766 16.0765 14.203 8.10455 6.87842 14.1709 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.7871 11.0435 9.2146 7.90018 4.82199 13.6412 14.4056 8.89273 9.4148 13.0428 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 7.7871 11.0435 9.2146 7.90018 4.82199 13.6412 14.203 8.10455 6.87842 12.7139 numMergedOcc 0
6 mol 29 unq 0 iso 0 dist 6.80828 5.45544 5.99655 4.52631 9.2087 8.80559 15.2186 13.1956 9.78134 17.9644 numMergedOcc 0
7 mol 30 unq 0 iso 0 dist 7.88072 4.5844 8.67216 4.83638 9.63882 3.08756 8.204 3.90342 7.13565 9.11745 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 7.88072 4.5844 8.67216 5.2103 6.87277 3.30447 8.204 3.90342 7.13565 4.62145 numMergedOcc 0
9 mol 33 unq 0 iso 0 dist 7.89306 6.23577 4.64187 5.71433 4.78873 3.60218 11.4403 3.63113 7.84077 7.97002 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 8.26877 12.0497 7.78689 5.39197 8.22812 9.26377 13.3536 6.44604 8.8645 13.8065 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 8.26877 12.0497 7.78689 9.53255 4.22002 4.88527 13.3536 6.44604 8.8645 8.52681 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 8.26877 12.0497 7.78689 7.75132 5.77855 4.76279 13.3536 6.44604 8.8645 10.084 numMergedOcc 0
13 mol 48 unq 3 iso 0 dist 8.26877 12.0497 7.78689 14.2848 8.10774 5.56357 13.3536 6.44604 8.8645 9.98769 numMergedOcc 0
14 mol 48 unq 4 iso 0 dist 8.26877 12.0497 7.78689 12.4977 6.5241 9.94951 13.3536 6.44604 8.8645 10.9073 numMergedOcc 0
15 mol 48 unq 5 iso 0 dist 7.99434 5.76698 7.78689 12.2756 8.22812 9.26377 5.35252 6.44604 8.8645 13.8065 numMergedOcc 0
16 mol 48 unq 6 iso 0 dist 7.99434 5.76698 7.78689 8.12843 4.22002 4.88527 5.35252 6.44604 8.8645 8.52681 numMergedOcc 0
17 mol 48 unq 7 iso 0 dist 7.99434 5.76698 7.78689 8.16676 5.77855 4.76279 5.35252 6.44604 8.8645 10.084 numMergedOcc 0
18 mol 48 unq 8 iso 0 dist 7.99434 5.76698 7.78689 9.72202 8.10774 5.56357 5.35252 6.44604 8.8645 9.98769 numMergedOcc 0
19 mol 48 unq 9 iso 0 dist 7.99434 5.76698 7.78689 12.7252 6.5241 9.94951 5.35252 6.44604 8.8645 10.9073 numMergedOcc 0
20 mol 48 unq 10 iso 0 dist 7.49794 11.3706 7.70645 13.819 8.14245 5.43784 12.5275 6.4561 8.3491 9.40291 numMergedOcc 0
21 mol 48 unq 11 iso 0 dist 7.49794 11.3706 7.70645 11.8742 6.36817 9.7018 12.5275 6.4561 8.3491 10.6705 numMergedOcc 0
22 mol 48 unq 12 iso 0 dist 7.49794 11.3706 7.70645 5.44298 8.0812 8.95384 12.5275 6.4561 8.3491 13.4464 numMergedOcc 0
23 mol 48 unq 13 iso 0 dist 7.49794 11.3706 7.70645 9.10301 4.17933 4.57947 12.5275 6.4561 8.3491 7.94814 numMergedOcc 0
24 mol 48 unq 14 iso 0 dist 7.49794 11.3706 7.70645 7.24268 5.54893 4.60843 12.5275 6.4561 8.3491 9.55632 numMergedOcc 0
25 mol 48 unq 15 iso 0 dist 8.10222 5.75684 7.70645 9.57893 8.14245 5.43784 5.06188 6.4561 8.3491 9.40291 numMergedOcc 0
26 mol 48 unq 16 iso 0 dist 8.10222 5.75684 7.70645 12.6437 6.36817 9.7018 5.06188 6.4561 8.3491 10.6705 numMergedOcc 0
27 mol 48 unq 17 iso 0 dist 8.10222 5.75684 7.70645 12.0687 8.0812 8.95384 5.06188 6.4561 8.3491 13.4464 numMergedOcc 0
28 mol 48 unq 18 iso 0 dist 8.10222 5.75684 7.70645 7.88988 4.17933 4.57947 5.06188 6.4561 8.3491 7.94814 numMergedOcc 0
29 mol 48 unq 19 iso 0 dist 8.10222 5.75684 7.70645 8.00934 5.54893 4.60843 5.06188 6.4561 8.3491 9.55632 numMergedOcc 0
30 mol 68 unq 0 iso 0 dist 5.26566 9.4465 8.71074 5.08181 7.7485 7.18877 15.071 11.7176 7.50377 13.9507 numMergedOcc 0
31 mol 79 unq 0 iso 0 dist 4.2253 5.21981 4.74254 8.65653 6.20144 7.19532 8.64686 9.13196 6.30814 13.3239 numMergedOcc 0
32 mol 83 unq 0 iso 0 dist 7.69755 4.93836 5.35861 4.12785 7.50925 3.62753 7.2118 4.48523 5.25361 5.13041 numMergedOcc 0
33 mol 83 unq 1 iso 0 dist 7.69755 4.93836 5.35861 6.83349 6.96722 3.65203 7.2118 4.48523 5.25361 8.57603 numMergedOcc 0
34 mol 83 unq 2 iso 0 dist 9.64197 8.82563 5.35861 9.58199 7.50925 3.62753 11.3405 4.48523 5.25361 5.13041 numMergedOcc 0
35 mol 83 unq 3 iso 0 dist 9.64197 8.82563 5.35861 8.6522 6.96722 3.65203 11.3405 4.48523 5.25361 8.57603 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 6.48382 7.90149 8.20376 5.79323 6.96692 3.68488 9.0836 7.63149 8.9221 10.3444 numMergedOcc 0
37 mol 266 unq 1 iso 0 dist 6.48382 7.90149 8.20376 5.79323 6.96692 3.68488 9.62494 4.39553 9.51145 9.90506 numMergedOcc 0
38 mol 266 unq 2 iso 0 dist 6.48382 7.90149 8.20376 7.52317 8.25286 3.14784 9.0836 7.63149 8.9221 6.39822 numMergedOcc 0
39 mol 266 unq 3 iso 0 dist 6.48382 7.90149 8.20376 7.52317 8.25286 3.14784 9.62494 4.39553 9.51145 8.61077 numMergedOcc 0
40 mol 266 unq 4 iso 0 dist 6.48382 7.90149 8.20376 9.52953 9.9965 5.95721 9.0836 7.63149 8.9221 5.36518 numMergedOcc 0
41 mol 266 unq 5 iso 0 dist 6.48382 7.90149 8.20376 9.52953 9.9965 5.95721 9.62494 4.39553 9.51145 9.11585 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 4.1545 6.65084 5.13533 5.11865 7.98956 10.5214 8.15119 9.21484 6.42951 9.07744 numMergedOcc 0
