0 mol 15 unq 0 iso 0 dist 6.82505 7.12903 5.51916 5.55659 9.78051 8.96967 9.03536 10.4158 8.21493 5.01321 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 8.23643 11.0832 5.5841 9.80108 13.6944 5.03957 12.1187 8.73972 7.42082 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 7.82528 10.4988 5.5841 9.80108 10.7418 10.8007 15.679 6.00439 12.0759 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 5.5841 9.80108 10.7418 7.67038 10.4091 6.20943 6.74265 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 7.20519 9.80108 5.5841 5.31524 8.78293 9.95011 7.07775 6.864 8.58657 11.4401 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 7.20519 9.80108 5.5841 11.0832 8.23643 13.6944 7.07775 6.864 8.58657 12.3093 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 7.20519 9.80108 5.5841 10.4988 7.82528 10.7418 7.07775 6.864 8.58657 4.69858 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 4.51865 6.20943 4.69858 6.74265 8.58657 10.7418 7.83352 9.56313 6.00439 12.0759 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 4.51865 6.20943 4.69858 6.74265 8.58657 10.7418 7.67038 6.864 7.82528 5.5841 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 4.51865 8.58657 6.74265 4.69858 6.20943 10.7418 7.07775 10.4091 9.80108 10.4988 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 6.864 8.23643 12.3093 5.5841 8.58657 13.6944 5.03957 11.0366 8.73972 7.42082 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 6.864 7.82528 4.69858 5.5841 8.58657 10.7418 10.8007 9.56313 6.00439 12.0759 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 6.864 7.82528 4.69858 5.5841 8.58657 10.7418 7.67038 4.51865 6.20943 6.74265 numMergedOcc 0
13 mol 19 unq 12 iso 0 dist 6.864 8.58657 5.5841 11.4401 8.78293 9.95011 7.07775 7.20519 9.80108 5.31524 numMergedOcc 0
14 mol 19 unq 13 iso 0 dist 6.864 8.58657 5.5841 12.3093 8.23643 13.6944 7.07775 7.20519 9.80108 11.0832 numMergedOcc 0
15 mol 19 unq 14 iso 0 dist 6.864 8.58657 5.5841 4.69858 7.82528 10.7418 7.07775 7.20519 9.80108 10.4988 numMergedOcc 0
16 mol 26 unq 0 iso 0 dist 8.34347 9.16962 11.887 7.23546 6.73162 15.0652 13.2136 18.9645 8.82012 19.691 numMergedOcc 0
17 mol 45 unq 0 iso 0 dist 7.58835 6.34173 5.67689 6.89191 9.20119 8.59109 5.24762 11.2563 7.06308 9.01651 numMergedOcc 0
18 mol 45 unq 1 iso 0 dist 7.58835 6.34173 5.67689 6.89191 9.20119 8.59109 5.101 11.5838 9.43442 5.54436 numMergedOcc 0
19 mol 58 unq 0 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 7.08557 10.1508 9.33535 6.78077 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 4.55117 8.26899 8.80108 11.0466 13.4544 7.58407 14.7581 numMergedOcc 0
21 mol 58 unq 2 iso 0 dist 7.32874 6.40841 6.75888 4.55117 8.26899 8.80108 5.90225 9.55426 6.31428 10.3782 numMergedOcc 0
22 mol 58 unq 3 iso 0 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 5.35073 6.35756 8.89374 7.05413 numMergedOcc 0
23 mol 58 unq 4 iso 0 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 10.8153 10.3224 6.46761 6.61756 numMergedOcc 0
24 mol 58 unq 5 iso 0 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 14.5953 15.4557 9.73139 8.94672 numMergedOcc 0
25 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 5.35073 6.86465 8.63333 5.92889 numMergedOcc 0
26 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 8.62958 10.3224 6.46761 6.61756 numMergedOcc 0
27 mol 58 unq 8 iso 0 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 14.176 15.4557 9.73139 8.94672 numMergedOcc 0
28 mol 58 unq 9 iso 0 dist 9.55426 8.26899 10.3782 13.1021 9.73139 12.8396 7.08557 12.7357 9.33535 10.3426 numMergedOcc 0
29 mol 58 unq 10 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 7.08557 12.7357 9.33535 6.78077 numMergedOcc 0
30 mol 58 unq 11 iso 0 dist 9.55426 9.73139 13.1021 10.3782 8.26899 12.8396 14.5953 20.7459 8.63333 17.9224 numMergedOcc 0
31 mol 58 unq 12 iso 0 dist 9.55426 9.73139 13.1021 10.3782 8.26899 12.8396 14.176 20.984 8.89374 20.1607 numMergedOcc 0
32 mol 58 unq 13 iso 0 dist 9.55426 9.73139 13.1021 10.3782 8.26899 12.8396 6.47414 13.4544 6.46761 14.7581 numMergedOcc 0
33 mol 58 unq 14 iso 0 dist 9.55426 6.31428 6.75888 10.3782 8.26899 8.80108 5.90225 7.32874 6.40841 4.55117 numMergedOcc 0
34 mol 58 unq 15 iso 0 dist 9.55426 6.31428 6.75888 10.3782 8.26899 8.80108 6.47414 13.4544 7.58407 14.7581 numMergedOcc 0
35 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 5.36766 10.8086 8.624 6.00418 numMergedOcc 0
36 mol 100 unq 0 iso 0 dist 7.47343 7.75343 15.209 10.1589 8.72704 16.0363 5.88134 12.0662 6.58204 10.1499 numMergedOcc 0
37 mol 114 unq 0 iso 0 dist 7.35754 8.68821 5.33327 4.77056 7.52743 7.36816 8.66412 10.473 7.12609 5.31865 numMergedOcc 0
38 mol 114 unq 1 iso 0 dist 7.35754 7.52743 4.77056 5.33327 8.68821 7.36816 5.59517 10.1937 8.71128 9.2907 numMergedOcc 0
39 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 10.7942 7.76729 12.4065 7.69052 5.83991 8.66155 10.9739 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 5.83991 8.66155 6.09023 10.9739 7.76729 12.4065 7.69052 9.33865 9.66954 10.7942 numMergedOcc 0
41 mol 115 unq 2 iso 0 dist 6.11741 9.66954 4.61908 10.8292 6.99777 9.9411 7.69052 7.88312 8.66155 11.7126 numMergedOcc 0
42 mol 115 unq 3 iso 0 dist 6.11741 9.66954 4.61908 6.12943 9.14376 11.764 7.69052 7.88312 8.66155 4.62962 numMergedOcc 0
43 mol 115 unq 4 iso 0 dist 7.88312 8.66155 4.61908 11.7126 6.99777 9.9411 7.69052 6.11741 9.66954 10.8292 numMergedOcc 0
44 mol 115 unq 5 iso 0 dist 7.88312 8.66155 4.61908 4.62962 9.14376 11.764 7.69052 6.11741 9.66954 6.12943 numMergedOcc 0
45 mol 127 unq 0 iso 0 dist 9.30299 8.59981 14.085 4.77464 9.81878 6.3244 11.279 17.6472 6.192 8.00931 numMergedOcc 0
46 mol 127 unq 1 iso 0 dist 9.30299 8.59981 14.085 4.77464 9.81878 6.3244 11.4958 15.0647 7.69308 6.85862 numMergedOcc 0
47 mol 127 unq 2 iso 0 dist 9.30299 8.59981 14.085 4.77464 9.81878 6.3244 5.55757 14.7391 7.66331 7.11695 numMergedOcc 0
48 mol 127 unq 3 iso 0 dist 9.30299 7.34519 13.1312 4.77464 9.81878 11.7518 5.55757 14.7391 8.58999 7.11695 numMergedOcc 0
49 mol 127 unq 4 iso 0 dist 9.30299 7.34519 13.1312 4.77464 9.81878 11.7518 6.16471 14.9565 6.63981 9.79266 numMergedOcc 0
50 mol 155 unq 0 iso 0 dist 6.23493 9.17284 4.9093 6.3845 7.16254 6.51096 10.6882 12.1555 9.87281 5.48883 numMergedOcc 0
51 mol 155 unq 1 iso 0 dist 6.23493 9.17284 4.9093 6.3845 7.16254 6.51096 12.1545 11.6934 8.87452 5.77564 numMergedOcc 0
52 mol 155 unq 2 iso 0 dist 6.23493 9.17284 4.9093 5.86939 9.86313 10.3514 10.6882 12.1555 9.87281 8.78665 numMergedOcc 0
53 mol 155 unq 3 iso 0 dist 6.23493 9.17284 4.9093 5.86939 9.86313 10.3514 12.1545 11.6934 8.87452 12.1476 numMergedOcc 0
54 mol 155 unq 4 iso 0 dist 6.23493 7.16254 6.3845 4.9093 9.17284 6.51096 5.71071 7.46303 9.14392 6.3437 numMergedOcc 0
55 mol 155 unq 5 iso 0 dist 6.23493 9.86313 5.86939 4.9093 9.17284 10.3514 5.71071 7.46303 7.51198 6.3437 numMergedOcc 0
56 mol 155 unq 6 iso 0 dist 7.46303 9.17284 6.3437 6.3845 9.14392 6.51096 10.6882 12.3052 9.87281 5.48883 numMergedOcc 0
57 mol 155 unq 7 iso 0 dist 7.46303 9.17284 6.3437 6.3845 9.14392 6.51096 12.1545 13.4817 8.87452 5.77564 numMergedOcc 0
58 mol 155 unq 8 iso 0 dist 7.46303 9.17284 6.3437 5.86939 7.51198 10.3514 10.6882 12.3052 9.87281 8.78665 numMergedOcc 0
59 mol 155 unq 9 iso 0 dist 7.46303 9.17284 6.3437 5.86939 7.51198 10.3514 12.1545 13.4817 8.87452 12.1476 numMergedOcc 0
60 mol 155 unq 10 iso 0 dist 7.46303 9.14392 6.3845 6.3437 9.17284 6.51096 5.71071 6.23493 7.16254 4.9093 numMergedOcc 0
61 mol 155 unq 11 iso 0 dist 7.46303 7.51198 5.86939 6.3437 9.17284 10.3514 5.71071 6.23493 9.86313 4.9093 numMergedOcc 0
62 mol 155 unq 12 iso 0 dist 6.43582 7.36102 8.27726 12.1814 9.14392 13.2154 10.7616 10.7829 7.39644 9.36596 numMergedOcc 0
63 mol 155 unq 13 iso 0 dist 6.43582 7.36102 8.27726 6.34186 7.51198 7.37901 10.7616 10.7829 7.39644 5.40375 numMergedOcc 0
64 mol 155 unq 14 iso 0 dist 6.43582 9.14392 12.1814 12.8482 9.38946 18.2998 5.71071 10.2463 7.16254 18.174 numMergedOcc 0
65 mol 155 unq 15 iso 0 dist 6.43582 9.14392 12.1814 8.27726 7.36102 13.2154 5.71071 10.2463 7.16254 13.5062 numMergedOcc 0
66 mol 155 unq 16 iso 0 dist 6.43582 7.51198 6.34186 12.8482 9.38946 11.3251 5.71071 10.2463 9.86313 18.174 numMergedOcc 0
67 mol 155 unq 17 iso 0 dist 6.43582 7.51198 6.34186 8.27726 7.36102 7.37901 5.71071 10.2463 9.86313 13.5062 numMergedOcc 0
68 mol 156 unq 0 iso 0 dist 7.44554 9.36805 6.29785 7.29758 6.27641 6.90155 5.76755 10.4649 8.47155 9.30783 numMergedOcc 0
69 mol 156 unq 1 iso 0 dist 7.44554 9.36805 6.29785 7.29758 6.27641 6.90155 8.38403 9.83699 7.55203 4.53931 numMergedOcc 0
70 mol 156 unq 2 iso 0 dist 9.83699 7.55203 6.29785 4.53931 6.27641 6.90155 7.60354 10.4649 8.47155 9.30783 numMergedOcc 0
71 mol 156 unq 3 iso 0 dist 9.83699 7.55203 6.29785 4.53931 6.27641 6.90155 8.38403 7.44554 9.36805 7.29758 numMergedOcc 0
72 mol 175 unq 0 iso 0 dist 9.0018 9.8589 8.22779 11.0415 9.31887 4.79852 7.42466 7.652 7.24908 5.0384 numMergedOcc 0
73 mol 175 unq 1 iso 0 dist 7.652 7.24908 8.22779 5.0384 9.31887 4.79852 7.42466 9.0018 9.8589 11.0415 numMergedOcc 0
74 mol 175 unq 2 iso 0 dist 5.6234 9.8589 10.5631 5.28109 9.0664 12.8738 7.42466 9.92231 7.24908 7.14477 numMergedOcc 0
75 mol 175 unq 3 iso 0 dist 9.92231 7.24908 10.5631 7.14477 9.0664 12.8738 7.42466 5.6234 9.8589 5.28109 numMergedOcc 0
76 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 8.47007 6.97182 11.7443 10.3105 11.9355 8.60247 15.1286 numMergedOcc 0
77 mol 214 unq 1 iso 0 dist 8.85478 7.46831 6.67959 12.8334 6.1175 12.7646 10.3105 11.9355 8.60247 16.8311 numMergedOcc 0
78 mol 224 unq 0 iso 0 dist 8.95269 6.67585 5.29877 7.98696 6.87664 9.47554 4.70378 6.57273 6.65984 7.12232 numMergedOcc 0
79 mol 224 unq 1 iso 0 dist 6.57273 6.65984 5.29877 7.12232 6.87664 9.47554 4.70378 8.95269 6.67585 7.98696 numMergedOcc 0
80 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 4.65302 8.21247 11.9287 9.85037 11.9862 9.43058 7.82697 numMergedOcc 0
81 mol 235 unq 1 iso 0 dist 5.4638 9.58736 9.66021 4.65302 8.21247 11.9287 13.6669 15.2592 8.75735 12.9071 numMergedOcc 0
82 mol 235 unq 2 iso 0 dist 5.4638 9.58736 9.66021 4.65302 8.21247 11.9287 16.4493 15.3051 6.98084 18.5899 numMergedOcc 0
83 mol 235 unq 3 iso 0 dist 5.4638 9.58736 9.66021 4.65302 8.21247 11.9287 15.4 16.4776 7.32211 17.8876 numMergedOcc 0
84 mol 238 unq 0 iso 0 dist 6.57393 5.38637 6.20606 10.9761 6.91569 11.9092 5.42006 11.101 6.55759 15.4238 numMergedOcc 0
85 mol 259 unq 0 iso 0 dist 5.30224 8.37865 5.31048 4.99891 6.77938 11.4462 12.5353 12.0576 7.48005 16.982 numMergedOcc 0
86 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 5.32839 7.76676 9.64797 12.5353 12.0576 7.48005 13.546 numMergedOcc 0
87 mol 282 unq 0 iso 0 dist 8.04483 6.85028 6.3384 10.1236 8.8673 13.4504 5.39891 6.33524 7.32347 7.36881 numMergedOcc 0
88 mol 282 unq 1 iso 0 dist 8.04483 6.85028 6.3384 10.1236 8.8673 13.4504 7.76539 13.5481 8.3411 17.2058 numMergedOcc 0
89 mol 282 unq 2 iso 0 dist 6.33524 7.32347 6.3384 7.36881 8.8673 13.4504 5.39891 8.04483 6.85028 10.1236 numMergedOcc 0
90 mol 282 unq 3 iso 0 dist 6.33524 7.32347 6.3384 7.36881 8.8673 13.4504 10.5372 13.5481 8.3411 17.2058 numMergedOcc 0
