0 mol 5 unq 0 iso 0 dist 9.38842 7.15734 6.343 8.88048 14.328 13.8842 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 8.46873 9.12796 6.37317 6.36157 8.89286 8.60722 numMergedOcc 0
2 mol 6 unq 1 iso 0 dist 8.46873 6.1462 6.24927 6.36157 8.89286 8.54844 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.95422 9.00925 15.0835 8.68949 7.19549 16.2669 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.65219 9.00925 15.5539 8.68949 4.77791 16.2669 numMergedOcc 0
5 mol 12 unq 0 iso 0 dist 9.99955 5.9021 14.5243 6.6051 11.9718 4.86727 numMergedOcc 0
6 mol 12 unq 1 iso 0 dist 9.99955 8.98466 5.3482 6.6051 11.9718 10.763 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 6.8824 9.3147 5.83115 8.75001 4.51869 10.2713 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 6.8824 9.79426 13.3381 8.75001 4.51869 12.053 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 8.33492 9.3147 15.1867 8.75001 14.2304 10.2713 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 8.33492 9.79426 6.1852 8.75001 14.2304 12.053 numMergedOcc 0
11 mol 33 unq 0 iso 0 dist 7.99091 8.43688 10.264 8.37901 7.07421 3.80563 numMergedOcc 0
12 mol 33 unq 1 iso 0 dist 9.82882 8.43688 6.40736 8.37901 5.3434 3.80563 numMergedOcc 0
13 mol 48 unq 0 iso 0 dist 9.65989 8.36915 5.70853 9.53081 17.0289 13.2937 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 9.65989 6.01454 11.7008 9.53081 17.0289 5.41488 numMergedOcc 0
15 mol 48 unq 2 iso 0 dist 8.66272 8.36915 4.8908 9.53081 10.9256 13.2937 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 8.66272 6.01454 5.82846 9.53081 10.9256 5.41488 numMergedOcc 0
17 mol 69 unq 0 iso 0 dist 7.32268 8.36667 8.99315 8.70964 5.09223 11.5923 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 4.52157 7.41952 5.65368 8.64686 9.88522 9.57704 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 7.45114 8.34427 12.7662 9.52061 15.8255 7.12885 numMergedOcc 0
20 mol 132 unq 0 iso 0 dist 7.73306 8.15549 5.6296 9.39389 8.41467 10.8474 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 7.74278 9.07294 13.4864 5.79195 8.17831 5.35551 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 8.54607 9.6582 7.72261 9.23104 7.21249 12.4825 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 8.54607 5.17734 4.27464 9.23104 7.21249 7.75771 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 8.54607 9.07294 16.2835 5.79195 11.5137 5.35551 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 7.78154 6.68364 4.62682 6.87456 4.58639 7.87375 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 5.9183 6.68364 9.74045 6.87456 7.75087 7.87375 numMergedOcc 0
27 mol 157 unq 0 iso 0 dist 6.18988 9.668 7.14195 6.8976 4.87585 11.1313 numMergedOcc 0
28 mol 165 unq 0 iso 0 dist 9.13163 9.59989 14.676 6.85551 4.81643 9.94274 numMergedOcc 0
29 mol 165 unq 1 iso 0 dist 7.74717 8.2197 9.78341 7.21397 14.5599 10.5947 numMergedOcc 0
30 mol 165 unq 2 iso 0 dist 7.74717 9.59989 11.997 6.85551 14.2908 9.94274 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 5.65146 7.02662 9.21526 6.72718 4.84679 6.12748 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 5.65146 7.02662 9.21526 8.72949 10.0343 8.01622 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 7.87204 9.94142 8.42816 8.46819 5.00539 8.05438 numMergedOcc 0
34 mol 192 unq 0 iso 0 dist 8.40971 7.30965 9.583 6.2016 9.45543 5.21255 numMergedOcc 0
35 mol 192 unq 1 iso 0 dist 8.40971 7.30965 9.583 8.3453 5.39993 5.1366 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 9.38418 7.00683 14.0964 9.52029 17.6365 8.61406 numMergedOcc 0
37 mol 217 unq 0 iso 0 dist 9.94746 6.01666 6.28311 7.60302 11.2776 5.16489 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 6.45234 7.35148 9.97963 6.39087 5.9596 11.4142 numMergedOcc 0
39 mol 220 unq 1 iso 0 dist 8.37469 7.86207 15.7127 9.89039 13.8056 9.09963 numMergedOcc 0
40 mol 220 unq 2 iso 0 dist 8.37469 7.86207 15.7127 8.57174 6.77956 14.3078 numMergedOcc 0
41 mol 223 unq 0 iso 0 dist 9.03969 9.29204 12.1037 6.97426 12.4791 4.73988 numMergedOcc 0
42 mol 223 unq 1 iso 0 dist 9.03969 9.29204 12.1037 8.87456 16.4578 8.36102 numMergedOcc 0
43 mol 223 unq 2 iso 0 dist 9.03969 9.14789 14.841 6.97426 12.4791 4.78255 numMergedOcc 0
44 mol 223 unq 3 iso 0 dist 9.03969 9.14789 14.841 8.87456 16.4578 5.43913 numMergedOcc 0
45 mol 223 unq 4 iso 0 dist 9.03969 7.80764 11.4317 6.97426 12.4791 12.6805 numMergedOcc 0
46 mol 223 unq 5 iso 0 dist 9.03969 7.80764 11.4317 8.87456 16.4578 13.9763 numMergedOcc 0
47 mol 223 unq 6 iso 0 dist 9.03969 5.75896 4.44076 6.97426 12.4791 10.6184 numMergedOcc 0
48 mol 223 unq 7 iso 0 dist 9.03969 5.75896 4.44076 8.87456 16.4578 13.8469 numMergedOcc 0
49 mol 224 unq 0 iso 0 dist 9.31156 7.58998 5.66462 6.23677 6.16829 6.88745 numMergedOcc 0
50 mol 229 unq 0 iso 0 dist 5.22312 8.36396 9.09385 7.48693 4.88762 5.52342 numMergedOcc 0
51 mol 255 unq 0 iso 0 dist 7.20562 9.72048 5.17298 7.57779 4.80717 9.92518 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 8.06955 8.91916 13.2664 8.54422 8.52607 6.40534 numMergedOcc 0
53 mol 259 unq 1 iso 0 dist 8.06955 8.91916 13.2664 7.67473 4.55934 9.57286 numMergedOcc 0
54 mol 259 unq 2 iso 0 dist 8.06955 4.55368 9.68677 8.54422 8.52607 6.14631 numMergedOcc 0
55 mol 259 unq 3 iso 0 dist 8.06955 4.55368 9.68677 7.67473 4.55934 6.89689 numMergedOcc 0
56 mol 266 unq 0 iso 0 dist 8.48012 8.12204 4.62446 9.39714 8.68495 5.91091 numMergedOcc 0
57 mol 276 unq 0 iso 0 dist 9.15041 9.68846 12.7102 9.87655 8.99762 4.97223 numMergedOcc 0
58 mol 283 unq 0 iso 0 dist 8.92124 8.3815 5.13525 5.71075 6.69432 4.87508 numMergedOcc 0
59 mol 283 unq 1 iso 0 dist 8.92124 7.13925 8.75145 5.71075 6.69432 7.75306 numMergedOcc 0
60 mol 283 unq 2 iso 0 dist 8.76844 7.53773 8.99445 9.243 11.6694 6.85055 numMergedOcc 0
61 mol 293 unq 0 iso 0 dist 9.15753 8.42712 6.51518 6.42608 11.0181 8.14268 numMergedOcc 0
