0 mol 15 unq 0 iso 0 dist 6.82505 9.97507 5.17568 7.12903 5.51916 5.90976 5.55659 9.78051 10.2713 8.96967 9.03536 10.4158 8.38064 8.21493 5.01321 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 5.5841 9.80108 9.58539 13.6944 5.03957 12.1187 7.82074 8.73972 7.42082 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 5.5841 9.80108 9.58539 10.7418 10.8007 15.679 9.78944 6.00439 12.0759 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 5.5841 9.80108 9.58539 10.7418 7.67038 10.4091 8.4674 6.20943 6.74265 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 5.5841 9.80108 8.58657 13.6944 5.03957 12.1187 11.0366 8.73972 7.42082 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 5.5841 9.80108 8.58657 10.7418 10.8007 15.679 9.56313 6.00439 12.0759 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 5.5841 9.80108 8.58657 10.7418 7.67038 10.4091 4.51865 6.20943 6.74265 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 6.74265 8.58657 9.58539 10.7418 7.83352 9.56313 9.78944 6.00439 12.0759 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 6.74265 8.58657 9.58539 10.7418 7.67038 6.864 4.54938 7.82528 5.5841 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 4.69858 6.20943 7.82528 10.7418 7.07775 10.4091 7.20519 9.80108 10.4988 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 5.5841 8.58657 9.80108 13.6944 5.03957 11.0366 12.1187 8.73972 7.42082 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 5.5841 8.58657 9.80108 10.7418 10.8007 9.56313 15.679 6.00439 12.0759 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 5.5841 8.58657 9.80108 10.7418 7.67038 4.51865 10.4091 6.20943 6.74265 numMergedOcc 0
13 mol 19 unq 12 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 5.5841 8.58657 9.58539 13.6944 5.03957 11.0366 7.82074 8.73972 7.42082 numMergedOcc 0
14 mol 19 unq 13 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 5.5841 8.58657 9.58539 10.7418 10.8007 9.56313 9.78944 6.00439 12.0759 numMergedOcc 0
15 mol 19 unq 14 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 5.5841 8.58657 9.58539 10.7418 7.67038 4.51865 8.4674 6.20943 6.74265 numMergedOcc 0
16 mol 19 unq 15 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 11.4401 8.78293 13.4721 9.95011 7.07775 7.20519 10.4091 9.80108 5.31524 numMergedOcc 0
17 mol 19 unq 16 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 12.3093 8.23643 14.6255 13.6944 7.07775 7.20519 10.4091 9.80108 11.0832 numMergedOcc 0
18 mol 19 unq 17 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 4.69858 7.82528 6.20943 10.7418 7.07775 7.20519 10.4091 9.80108 10.4988 numMergedOcc 0
19 mol 45 unq 0 iso 0 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 6.89191 9.20119 12.1257 8.59109 5.24762 11.2563 6.43774 7.06308 9.01651 numMergedOcc 0
20 mol 45 unq 1 iso 0 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 6.89191 9.20119 12.1257 8.59109 5.101 11.5838 10.8302 9.43442 5.54436 numMergedOcc 0
21 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 6.75888 6.40841 10.335 8.80108 7.08557 10.1508 12.0187 9.33535 6.78077 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 6.75888 6.40841 6.31428 8.80108 7.08557 10.1508 12.7357 9.33535 6.78077 numMergedOcc 0
23 mol 58 unq 2 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 13.1021 9.73139 15.9764 12.8396 7.08557 12.7357 12.0187 9.33535 10.3426 numMergedOcc 0
24 mol 58 unq 3 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 6.75888 6.31428 10.335 8.80108 7.08557 12.7357 12.0187 9.33535 6.78077 numMergedOcc 0
25 mol 58 unq 4 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 13.1021 9.73139 10.9482 12.8396 7.08557 12.7357 10.1508 9.33535 10.3426 numMergedOcc 0
26 mol 58 unq 5 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 6.75888 6.31428 6.40841 8.80108 7.08557 12.7357 10.1508 9.33535 6.78077 numMergedOcc 0
27 mol 58 unq 6 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 10.3782 8.26899 13.7148 12.8396 14.5953 20.7459 13.497 8.63333 17.9224 numMergedOcc 0
28 mol 58 unq 7 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 10.3782 8.26899 13.7148 12.8396 14.176 20.984 12.1902 8.89374 20.1607 numMergedOcc 0
29 mol 58 unq 8 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 10.3782 8.26899 13.7148 12.8396 6.47414 13.4544 6.64012 6.46761 14.7581 numMergedOcc 0
30 mol 58 unq 9 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 10.3782 8.26899 13.7148 8.80108 5.90225 7.32874 11.396 6.40841 4.55117 numMergedOcc 0
31 mol 58 unq 10 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 10.3782 8.26899 13.7148 8.80108 6.47414 13.4544 6.64012 7.58407 14.7581 numMergedOcc 0
32 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 9.0131 7.321 13.3133 9.19459 5.36766 10.8086 12.8385 8.624 6.00418 numMergedOcc 0
33 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 10.1589 8.72704 10.5193 16.0363 5.88134 12.0662 9.60661 6.58204 10.1499 numMergedOcc 0
34 mol 100 unq 1 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 10.1589 8.72704 15.8984 16.0363 5.88134 12.0662 9.35224 6.58204 10.1499 numMergedOcc 0
35 mol 100 unq 2 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 10.1589 8.72704 14.8726 16.0363 5.88134 12.0662 10.5853 6.58204 10.1499 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 10.7942 7.76729 12.9821 12.4065 7.69052 5.83991 7.88312 8.66155 10.9739 numMergedOcc 0
37 mol 115 unq 1 iso 0 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 10.9739 7.76729 17.6696 12.4065 7.69052 9.33865 13.8473 9.66954 10.7942 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 10.9739 7.76729 12.9821 12.4065 7.69052 9.33865 6.11741 9.66954 10.7942 numMergedOcc 0
39 mol 115 unq 3 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 10.8292 6.99777 13.9977 9.9411 7.69052 7.88312 5.83991 8.66155 11.7126 numMergedOcc 0
40 mol 115 unq 4 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 6.12943 9.14376 9.65429 11.764 7.69052 7.88312 5.83991 8.66155 4.62962 numMergedOcc 0
41 mol 115 unq 5 iso 0 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 11.7126 6.99777 11.695 9.9411 7.69052 6.11741 13.8473 9.66954 10.8292 numMergedOcc 0
42 mol 115 unq 6 iso 0 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 4.62962 9.14376 10.0603 11.764 7.69052 6.11741 13.8473 9.66954 6.12943 numMergedOcc 0
43 mol 115 unq 7 iso 0 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 11.7126 6.99777 13.9977 9.9411 7.69052 6.11741 9.33865 9.66954 10.8292 numMergedOcc 0
44 mol 115 unq 8 iso 0 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 4.62962 9.14376 9.65429 11.764 7.69052 6.11741 9.33865 9.66954 6.12943 numMergedOcc 0
45 mol 127 unq 0 iso 0 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 4.77464 9.81878 11.7714 6.3244 11.279 17.6472 19.0925 6.192 8.00931 numMergedOcc 0
46 mol 127 unq 1 iso 0 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 4.77464 9.81878 11.7714 6.3244 11.4958 15.0647 18.4772 7.69308 6.85862 numMergedOcc 0
47 mol 127 unq 2 iso 0 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 4.77464 9.81878 11.7714 6.3244 5.55757 14.7391 12.8743 7.66331 7.11695 numMergedOcc 0
48 mol 127 unq 3 iso 0 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 4.77464 9.81878 11.7714 11.7518 5.55757 14.7391 12.8743 8.58999 7.11695 numMergedOcc 0
49 mol 127 unq 4 iso 0 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 4.77464 9.81878 11.7714 11.7518 6.16471 14.9565 11.3474 6.63981 9.79266 numMergedOcc 0
50 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 9.17284 4.9093 6.3437 6.3845 7.16254 9.14392 6.51096 10.6882 12.1555 12.3052 9.87281 5.48883 numMergedOcc 0
51 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 9.17284 4.9093 6.3437 6.3845 7.16254 9.14392 6.51096 12.1545 11.6934 13.4817 8.87452 5.77564 numMergedOcc 0
52 mol 155 unq 2 iso 0 dist 6.23493 7.46303 5.71071 9.17284 4.9093 6.3437 5.86939 9.86313 7.51198 10.3514 10.6882 12.1555 12.3052 9.87281 8.78665 numMergedOcc 0
53 mol 155 unq 3 iso 0 dist 6.23493 7.46303 5.71071 9.17284 4.9093 6.3437 5.86939 9.86313 7.51198 10.3514 12.1545 11.6934 13.4817 8.87452 12.1476 numMergedOcc 0
54 mol 155 unq 4 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 6.3845 9.14392 7.16254 6.51096 10.6882 12.3052 12.1555 9.87281 5.48883 numMergedOcc 0
55 mol 155 unq 5 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 6.3845 9.14392 7.16254 6.51096 12.1545 13.4817 11.6934 8.87452 5.77564 numMergedOcc 0
56 mol 155 unq 6 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 5.86939 7.51198 9.86313 10.3514 10.6882 12.3052 12.1555 9.87281 8.78665 numMergedOcc 0
57 mol 155 unq 7 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 5.86939 7.51198 9.86313 10.3514 12.1545 13.4817 11.6934 8.87452 12.1476 numMergedOcc 0
58 mol 155 unq 8 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 6.3437 9.17284 12.2465 6.51096 5.71071 6.23493 10.2463 7.16254 4.9093 numMergedOcc 0
59 mol 155 unq 9 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 6.3437 9.17284 12.2465 10.3514 5.71071 6.23493 10.2463 9.86313 4.9093 numMergedOcc 0
60 mol 155 unq 10 iso 0 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 12.8482 9.38946 15.9495 18.2998 5.71071 10.2463 6.23493 7.16254 18.174 numMergedOcc 0
61 mol 155 unq 11 iso 0 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 8.27726 7.36102 12.1081 13.2154 5.71071 10.2463 6.23493 7.16254 13.5062 numMergedOcc 0
62 mol 155 unq 12 iso 0 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 12.8482 9.38946 15.9495 11.3251 5.71071 10.2463 6.23493 9.86313 18.174 numMergedOcc 0
63 mol 155 unq 13 iso 0 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 8.27726 7.36102 12.1081 7.37901 5.71071 10.2463 6.23493 9.86313 13.5062 numMergedOcc 0
64 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 11.0415 9.31887 12.816 4.79852 7.42466 7.652 9.92231 7.24908 5.0384 numMergedOcc 0
65 mol 175 unq 1 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 11.0415 9.31887 11.3137 4.79852 7.42466 7.652 10.2623 7.24908 5.0384 numMergedOcc 0
66 mol 175 unq 2 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 5.0384 9.31887 12.816 4.79852 7.42466 9.0018 5.6234 9.8589 11.0415 numMergedOcc 0
67 mol 175 unq 3 iso 0 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 5.28109 9.0664 10.689 12.8738 7.42466 9.92231 7.652 7.24908 7.14477 numMergedOcc 0
68 mol 175 unq 4 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 5.28109 9.0664 11.5506 12.8738 7.42466 9.92231 10.2623 7.24908 7.14477 numMergedOcc 0
69 mol 175 unq 5 iso 0 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.14477 9.0664 10.689 12.8738 7.42466 5.6234 9.0018 9.8589 5.28109 numMergedOcc 0
70 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 7.12232 6.87664 10.8259 9.47554 4.70378 8.95269 9.99123 6.67585 7.98696 numMergedOcc 0
