0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.78293 5.31524 10.9543 5.5841 9.80108 9.58539 9.95011 10.3056 9.32205 13.8916 5.60953 8.19695 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 8.78293 5.31524 10.9543 5.5841 9.80108 9.58539 9.95011 7.75618 4.96411 9.74255 6.2337 7.02548 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 5.5841 9.80108 9.58539 13.6944 10.3056 9.32205 13.8916 16.5434 8.19695 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 5.5841 9.80108 9.58539 13.6944 7.75618 4.96411 9.74255 14.4867 7.02548 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 5.5841 9.80108 9.58539 10.7418 10.3056 9.32205 13.8916 16.6722 8.19695 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 5.5841 9.80108 9.58539 10.7418 7.75618 4.96411 9.74255 11.4087 7.02548 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 7.20519 6.864 7.07775 8.78293 5.31524 11.4401 5.5841 9.80108 8.58657 9.95011 10.3056 9.32205 13.0631 5.60953 8.19695 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 7.20519 6.864 7.07775 8.78293 5.31524 11.4401 5.5841 9.80108 8.58657 9.95011 7.75618 4.96411 7.08342 6.2337 7.02548 numMergedOcc 0
8 mol 19 unq 8 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 5.5841 9.80108 8.58657 13.6944 10.3056 9.32205 13.0631 16.5434 8.19695 numMergedOcc 0
9 mol 19 unq 9 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 5.5841 9.80108 8.58657 13.6944 7.75618 4.96411 7.08342 14.4867 7.02548 numMergedOcc 0
10 mol 19 unq 10 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 5.5841 9.80108 8.58657 10.7418 10.3056 9.32205 13.0631 16.6722 8.19695 numMergedOcc 0
11 mol 19 unq 11 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 5.5841 9.80108 8.58657 10.7418 7.75618 4.96411 7.08342 11.4087 7.02548 numMergedOcc 0
12 mol 19 unq 12 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 6.74265 8.58657 9.58539 10.7418 13.287 13.0631 13.8916 16.6722 8.19695 numMergedOcc 0
13 mol 19 unq 13 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 6.74265 8.58657 9.58539 10.7418 8.40416 7.08342 9.74255 11.4087 7.02548 numMergedOcc 0
14 mol 19 unq 14 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 4.69858 6.20943 7.82528 10.7418 13.212 10.943 15.119 15.6344 9.85134 numMergedOcc 0
15 mol 19 unq 15 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 4.69858 6.20943 7.82528 10.7418 6.41423 4.64838 4.97119 5.90856 5.82366 numMergedOcc 0
16 mol 19 unq 16 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 5.5841 8.58657 9.80108 9.95011 10.3056 13.0631 9.32205 5.60953 8.19695 numMergedOcc 0
17 mol 19 unq 17 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 5.5841 8.58657 9.80108 9.95011 7.75618 7.08342 4.96411 6.2337 7.02548 numMergedOcc 0
18 mol 19 unq 18 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 5.5841 8.58657 9.80108 13.6944 10.3056 13.0631 9.32205 16.5434 8.19695 numMergedOcc 0
19 mol 19 unq 19 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 5.5841 8.58657 9.80108 13.6944 7.75618 7.08342 4.96411 14.4867 7.02548 numMergedOcc 0
20 mol 19 unq 20 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 5.5841 8.58657 9.80108 10.7418 10.3056 13.0631 9.32205 16.6722 8.19695 numMergedOcc 0
21 mol 19 unq 21 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 5.5841 8.58657 9.80108 10.7418 7.75618 7.08342 4.96411 11.4087 7.02548 numMergedOcc 0
22 mol 19 unq 22 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 5.5841 8.58657 9.58539 9.95011 10.3056 13.0631 13.8916 5.60953 8.19695 numMergedOcc 0
23 mol 19 unq 23 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 5.5841 8.58657 9.58539 9.95011 7.75618 7.08342 9.74255 6.2337 7.02548 numMergedOcc 0
24 mol 19 unq 24 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 5.5841 8.58657 9.58539 13.6944 10.3056 13.0631 13.8916 16.5434 8.19695 numMergedOcc 0
25 mol 19 unq 25 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 5.5841 8.58657 9.58539 13.6944 7.75618 7.08342 9.74255 14.4867 7.02548 numMergedOcc 0
26 mol 19 unq 26 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 5.5841 8.58657 9.58539 10.7418 10.3056 13.0631 13.8916 16.6722 8.19695 numMergedOcc 0
27 mol 19 unq 27 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 5.5841 8.58657 9.58539 10.7418 7.75618 7.08342 9.74255 11.4087 7.02548 numMergedOcc 0
28 mol 19 unq 28 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 4.69858 7.82528 6.20943 10.7418 13.212 15.119 10.943 15.6344 9.85134 numMergedOcc 0
29 mol 19 unq 29 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 4.69858 7.82528 6.20943 10.7418 6.41423 4.97119 4.64838 5.90856 5.82366 numMergedOcc 0
30 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 10.6216 10.7082 12.8618 8.70414 5.55096 numMergedOcc 0
31 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 7.21955 7.12541 7.09066 10.8421 8.71468 numMergedOcc 0
32 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 7.21955 7.12541 5.74871 10.8421 8.71468 numMergedOcc 0
33 mol 58 unq 2 iso 0 dist 6.86465 6.62496 5.30792 9.58673 5.92889 10.2241 6.47744 8.63333 11.5023 7.01363 8.80614 10.2049 9.95364 8.88332 9.11258 numMergedOcc 0
34 mol 58 unq 3 iso 0 dist 6.86465 6.35756 5.35073 9.58673 5.92889 7.05413 6.47744 8.63333 8.89374 7.01363 8.80614 10.2049 5.49591 8.88332 9.11258 numMergedOcc 0
35 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 6.47744 8.89374 8.63333 7.01363 8.80614 5.49591 10.2049 8.88332 9.11258 numMergedOcc 0
36 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 6.47744 8.89374 11.5023 7.01363 8.80614 5.49591 9.95364 8.88332 9.11258 numMergedOcc 0
37 mol 58 unq 6 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 13.1021 9.73139 15.9764 12.8396 18.8985 12.2123 21.5025 20.1679 9.11258 numMergedOcc 0
38 mol 58 unq 7 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 6.75888 6.31428 10.335 8.80108 7.21955 5.74871 7.09066 10.8421 8.71468 numMergedOcc 0
39 mol 58 unq 8 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 13.1021 9.73139 10.9482 12.8396 18.8985 12.2123 16.7404 20.1679 9.11258 numMergedOcc 0
40 mol 58 unq 9 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 6.75888 6.31428 6.40841 8.80108 7.21955 5.74871 7.12541 10.8421 8.71468 numMergedOcc 0
41 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.24062 5.3525 11.0387 5.33688 6.71911 12.8699 6.5096 6.73347 9.64444 4.36133 7.0313 9.2902 numMergedOcc 0
42 mol 59 unq 1 iso 0 dist 7.71095 8.25513 8.19458 8.24062 5.3525 9.15805 5.33688 6.71911 11.6249 6.5096 6.73347 9.64444 6.66692 7.0313 9.2902 numMergedOcc 0
43 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 9.5074 10.6245 6.71012 13.6642 6.0652 numMergedOcc 0
44 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 9.5074 10.6245 13.0596 13.6642 6.0652 numMergedOcc 0
45 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 9.5074 10.6245 9.97598 13.6642 6.0652 numMergedOcc 0
46 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 13.3009 14.0688 16.1804 16.4702 7.70313 numMergedOcc 0
47 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 10.7942 7.76729 12.9821 6.40036 13.3009 14.0688 16.1804 5.67953 7.70313 numMergedOcc 0
48 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 10.2377 7.64585 12.2309 6.40036 12.125 6.40494 10.4285 9.65908 7.52142 numMergedOcc 0
49 mol 115 unq 3 iso 0 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 10.9739 7.76729 17.6696 12.4065 17.0848 14.0688 24.0778 16.4702 7.70313 numMergedOcc 0
50 mol 115 unq 4 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 10.9739 7.76729 12.9821 12.4065 17.0848 14.0688 16.1804 16.4702 7.70313 numMergedOcc 0
51 mol 115 unq 5 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 10.8292 6.99777 13.9977 9.9411 11.0224 5.22052 11.8511 6.20063 5.60389 numMergedOcc 0
52 mol 115 unq 6 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 10.8292 6.99777 13.9977 17.3282 11.0224 5.22052 11.8511 15.3461 5.60389 numMergedOcc 0
53 mol 115 unq 7 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 10.8939 7.64585 12.2309 17.3282 12.2743 6.40494 10.4285 16.9083 7.52142 numMergedOcc 0
54 mol 115 unq 8 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 10.8939 7.64585 12.2309 12.1188 12.2743 6.40494 10.4285 7.76802 7.52142 numMergedOcc 0
55 mol 115 unq 9 iso 0 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 11.7126 6.99777 11.695 9.9411 12.13 5.22052 13.2157 6.20063 5.60389 numMergedOcc 0
56 mol 115 unq 10 iso 0 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 11.7126 6.99777 13.9977 9.9411 12.13 5.22052 11.8511 6.20063 5.60389 numMergedOcc 0
57 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 10.9606 10.4923 6.89781 7.6506 9.0529 numMergedOcc 0
58 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 9.17284 4.9093 6.3437 5.86939 9.86313 7.51198 10.3514 12.2416 11.0769 5.50031 10.1521 9.80845 numMergedOcc 0
59 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 10.9606 10.4923 6.89781 7.6506 7.55196 numMergedOcc 0
60 mol 155 unq 3 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 6.3845 9.14392 7.16254 6.51096 10.9606 6.89781 10.4923 7.6506 9.0529 numMergedOcc 0
61 mol 155 unq 4 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 5.86939 7.51198 9.86313 10.3514 12.2416 5.50031 11.0769 10.1521 9.80845 numMergedOcc 0
62 mol 155 unq 5 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 5.86939 7.51198 9.86313 10.3514 10.9606 6.89781 10.4923 7.6506 7.55196 numMergedOcc 0
63 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 8.22779 9.8589 7.24908 4.79852 10.4182 8.29015 4.63177 4.30489 5.4997 numMergedOcc 0
64 mol 175 unq 1 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 8.22779 9.8589 7.24908 4.79852 13.5281 14.7282 9.30597 4.57622 6.99693 numMergedOcc 0
65 mol 175 unq 2 iso 0 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 8.22779 7.24908 9.8589 4.79852 10.4182 4.63177 8.29015 4.30489 5.4997 numMergedOcc 0
66 mol 175 unq 3 iso 0 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 8.22779 7.24908 9.8589 4.79852 13.5281 9.30597 14.7282 4.57622 6.99693 numMergedOcc 0
67 mol 175 unq 4 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 10.5631 9.8589 7.24908 12.8738 11.6765 8.29015 4.63177 9.75742 5.4997 numMergedOcc 0
68 mol 175 unq 5 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 10.5631 9.8589 7.24908 12.8738 16.8306 14.7282 9.30597 15.9867 6.99693 numMergedOcc 0
69 mol 175 unq 6 iso 0 dist 9.92231 5.6234 7.42466 9.0664 7.14477 5.28109 10.5631 7.24908 9.8589 12.8738 11.6765 4.63177 8.29015 9.75742 5.4997 numMergedOcc 0
70 mol 175 unq 7 iso 0 dist 9.92231 5.6234 7.42466 9.0664 7.14477 5.28109 10.5631 7.24908 9.8589 12.8738 16.8306 9.30597 14.7282 15.9867 6.99693 numMergedOcc 0
71 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 10.0524 7.13543 10.7636 11.7007 10.6908 5.77299 8.04639 8.15174 6.32777 numMergedOcc 0
72 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 10.0524 7.13543 10.7636 12.8673 10.6908 5.77299 8.04639 11.047 6.32777 numMergedOcc 0
73 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 10.0524 7.13543 11.8099 11.7007 10.6908 5.77299 8.85666 8.15174 6.32777 numMergedOcc 0
74 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 10.0524 7.13543 11.8099 12.8673 10.6908 5.77299 8.85666 11.047 6.32777 numMergedOcc 0
75 mol 181 unq 4 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 5.86342 6.94688 14.4632 10.5561 7.99195 6.6251 10.09 4.69841 9.06217 numMergedOcc 0
76 mol 181 unq 5 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 9.14057 6.71012 15.4777 9.94131 7.99195 6.6251 10.09 4.69841 7.13252 numMergedOcc 0
77 mol 181 unq 6 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 5.86342 6.94688 14.4632 11.7007 7.99195 6.6251 10.09 7.23063 9.06217 numMergedOcc 0
78 mol 181 unq 7 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 9.14057 6.71012 15.4777 12.8673 7.99195 6.6251 10.09 7.23063 7.13252 numMergedOcc 0
79 mol 181 unq 8 iso 0 dist 9.15386 9.1374 12.1628 6.94688 6.80228 6.25083 8.25067 9.6668 13.2702 8.20656 8.90963 9.34211 8.91338 4.43678 5.95304 numMergedOcc 0
80 mol 181 unq 9 iso 0 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 8.25067 9.6668 13.2702 9.40622 8.90963 9.34211 8.91338 6.03415 5.95304 numMergedOcc 0
81 mol 181 unq 10 iso 0 dist 9.15386 5.98885 5.16002 6.94688 6.80228 5.86342 8.25067 9.6668 10.8351 8.20656 8.90963 9.34211 9.81073 4.43678 5.95304 numMergedOcc 0
82 mol 181 unq 11 iso 0 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 8.25067 9.6668 10.8351 9.40622 8.90963 9.34211 9.81073 6.03415 5.95304 numMergedOcc 0
83 mol 181 unq 12 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 6.7991 4.93785 10.1232 12.2455 5.94469 7.77758 12.5387 8.93991 7.05653 numMergedOcc 0
84 mol 181 unq 13 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 6.7991 4.93785 10.1232 11.691 5.94469 7.77758 12.5387 5.35588 7.05653 numMergedOcc 0
85 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 8.8673 10.1236 8.14825 6.3384 6.85028 10.4802 13.4504 10.6906 7.80785 8.2662 13.9326 6.8972 numMergedOcc 0
86 mol 282 unq 1 iso 0 dist 8.04483 6.33524 5.39891 8.8673 10.1236 7.36881 6.3384 6.85028 7.32347 13.4504 10.6906 7.80785 6.6348 13.9326 6.8972 numMergedOcc 0
87 mol 282 unq 2 iso 0 dist 6.33524 8.04483 5.39891 8.8673 7.36881 10.1236 6.3384 7.32347 6.85028 13.4504 10.6906 6.6348 7.80785 13.9326 6.8972 numMergedOcc 0
88 mol 282 unq 3 iso 0 dist 6.33524 8.76532 4.66602 8.8673 7.36881 8.14825 6.3384 7.32347 10.4802 13.4504 10.6906 6.6348 8.2662 13.9326 6.8972 numMergedOcc 0
