0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 6.92532 12.3486 5.18512 6.87842 5.03957 12.1187 7.82074 8.73972 6.36455 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 6.92532 5.18512 12.3486 6.87842 5.03957 7.82074 12.1187 8.73972 6.36455 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 6.92532 12.3486 5.18512 6.34272 10.8007 15.679 9.78944 6.00439 7.48847 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 6.92532 5.18512 12.3486 6.34272 10.8007 9.78944 15.679 6.00439 7.48847 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 6.92532 12.3486 5.18512 6.34272 7.67038 10.4091 8.4674 6.20943 10.1882 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 6.92532 5.18512 12.3486 6.34272 7.67038 8.4674 10.4091 6.20943 10.1882 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 6.92532 12.3486 9.47529 6.87842 5.03957 12.1187 11.0366 8.73972 6.36455 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 6.92532 9.47529 12.3486 6.87842 5.03957 11.0366 12.1187 8.73972 6.36455 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 6.92532 12.3486 9.47529 6.34272 10.8007 15.679 9.56313 6.00439 7.48847 numMergedOcc 0
9 mol 19 unq 4 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 6.92532 9.47529 12.3486 6.34272 10.8007 9.56313 15.679 6.00439 7.48847 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 6.92532 12.3486 9.47529 6.34272 7.67038 10.4091 4.51865 6.20943 10.1882 numMergedOcc 0
11 mol 19 unq 5 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 6.92532 9.47529 12.3486 6.34272 7.67038 4.51865 10.4091 6.20943 10.1882 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 6.92532 5.18512 9.47529 6.87842 5.03957 7.82074 11.0366 8.73972 6.36455 numMergedOcc 0
13 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 6.92532 9.47529 5.18512 6.87842 5.03957 11.0366 7.82074 8.73972 6.36455 numMergedOcc 0
14 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 6.92532 5.18512 9.47529 6.34272 10.8007 9.78944 9.56313 6.00439 7.48847 numMergedOcc 0
15 mol 19 unq 4 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 6.92532 9.47529 5.18512 6.34272 10.8007 9.56313 9.78944 6.00439 7.48847 numMergedOcc 0
16 mol 19 unq 5 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 6.92532 5.18512 9.47529 6.34272 7.67038 8.4674 4.51865 6.20943 10.1882 numMergedOcc 0
17 mol 19 unq 5 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 6.92532 9.47529 5.18512 6.34272 7.67038 4.51865 8.4674 6.20943 10.1882 numMergedOcc 0
18 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 9.44459 5.73693 11.6164 5.94047 5.24762 6.43774 11.2563 7.06308 6.06454 numMergedOcc 0
19 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 9.44459 11.6164 5.73693 5.94047 5.24762 11.2563 6.43774 7.06308 6.06454 numMergedOcc 0
20 mol 45 unq 1 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 9.44459 5.73693 11.6164 5.94047 5.101 10.8302 11.5838 9.43442 10.3991 numMergedOcc 0
21 mol 45 unq 1 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 9.44459 11.6164 5.73693 5.94047 5.101 11.5838 10.8302 9.43442 10.3991 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 7.04044 15.7304 8.26458 11.2505 7.4697 8.9232 11.4799 5.64598 13.1821 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 7.04044 8.26458 15.7304 11.2505 7.4697 11.4799 8.9232 5.64598 13.1821 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 7.04044 15.7304 8.26458 11.2505 5.4148 10.2049 6.19304 4.65521 8.73253 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 7.04044 8.26458 15.7304 11.2505 5.4148 6.19304 10.2049 4.65521 8.73253 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 7.04044 15.7304 8.35241 11.2505 7.4697 8.9232 16.0453 5.64598 13.1821 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 7.04044 8.35241 15.7304 11.2505 7.4697 16.0453 8.9232 5.64598 13.1821 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 7.04044 15.7304 8.35241 11.2505 5.4148 10.2049 11.6369 4.65521 8.73253 numMergedOcc 0
29 mol 73 unq 3 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 7.04044 8.35241 15.7304 11.2505 5.4148 11.6369 10.2049 4.65521 8.73253 numMergedOcc 0
30 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 7.04044 8.26458 8.35241 11.2505 7.4697 11.4799 16.0453 5.64598 13.1821 numMergedOcc 0
31 mol 73 unq 2 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 7.04044 8.35241 8.26458 11.2505 7.4697 16.0453 11.4799 5.64598 13.1821 numMergedOcc 0
32 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 7.04044 8.26458 8.35241 11.2505 5.4148 6.19304 11.6369 4.65521 8.73253 numMergedOcc 0
33 mol 73 unq 3 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 7.04044 8.35241 8.26458 11.2505 5.4148 11.6369 6.19304 4.65521 8.73253 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 7.1589 6.37974 5.08358 12.5072 6.9948 7.47541 7.66905 7.22293 11.2808 numMergedOcc 0
35 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 7.1589 5.08358 6.37974 12.5072 6.9948 7.66905 7.47541 7.22293 11.2808 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 5.72642 5.61704 6.4497 5.87507 7.69052 13.8473 9.33865 9.66954 10.9734 numMergedOcc 0
37 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 5.72642 6.4497 5.61704 5.87507 7.69052 9.33865 13.8473 9.66954 10.9734 numMergedOcc 0
38 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 5.72642 5.61704 7.3094 5.87507 7.69052 13.8473 6.11741 9.66954 10.9734 numMergedOcc 0
39 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 5.72642 7.3094 5.61704 5.87507 7.69052 6.11741 13.8473 9.66954 10.9734 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 5.72642 6.4497 7.3094 5.87507 7.69052 9.33865 6.11741 9.66954 10.9734 numMergedOcc 0
41 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 5.72642 7.3094 6.4497 5.87507 7.69052 6.11741 9.33865 9.66954 10.9734 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.53031 5.35679 8.46636 11.9544 8.80819 11.9139 8.94367 8.79571 13.9396 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.53031 8.46636 5.35679 11.9544 8.80819 8.94367 11.9139 8.79571 13.9396 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.53031 5.35679 8.46636 11.9544 5.00817 9.5126 6.37586 5.42582 10.1537 numMergedOcc 0
45 mol 134 unq 1 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.53031 8.46636 5.35679 11.9544 5.00817 6.37586 9.5126 5.42582 10.1537 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.20836 9.4027 5.12325 9.65798 5.49782 6.37586 9.71307 5.42582 10.873 numMergedOcc 0
47 mol 134 unq 2 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 8.20836 5.12325 9.4027 9.65798 5.49782 9.71307 6.37586 5.42582 10.873 numMergedOcc 0
48 mol 134 unq 3 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.20836 9.4027 5.12325 9.65798 8.80819 6.49416 12.5075 8.6355 13.846 numMergedOcc 0
49 mol 134 unq 3 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 8.20836 5.12325 9.4027 9.65798 8.80819 12.5075 6.49416 8.6355 13.846 numMergedOcc 0
50 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 9.17106 12.6057 8.38032 5.14959 5.32922 5.31024 7.26382 9.07935 12.432 numMergedOcc 0
51 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 9.17106 8.38032 12.6057 5.14959 5.32922 7.26382 5.31024 9.07935 12.432 numMergedOcc 0
52 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 9.17106 12.6057 8.16815 5.14959 5.32922 5.31024 11.0824 9.07935 12.432 numMergedOcc 0
53 mol 142 unq 1 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 9.17106 8.16815 12.6057 5.14959 5.32922 11.0824 5.31024 9.07935 12.432 numMergedOcc 0
54 mol 142 unq 1 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 9.17106 8.38032 8.16815 5.14959 5.32922 7.26382 11.0824 9.07935 12.432 numMergedOcc 0
55 mol 142 unq 1 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 9.17106 8.16815 8.38032 5.14959 5.32922 11.0824 7.26382 9.07935 12.432 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 8.38865 11.0628 12.9587 5.92529 5.22356 8.65997 10.8157 6.95902 5.4694 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 8.38865 12.9587 11.0628 5.92529 5.22356 10.8157 8.65997 6.95902 5.4694 numMergedOcc 0
58 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 8.24186 11.7705 5.63086 13.0974 5.88703 12.9605 9.45496 7.85175 7.5366 numMergedOcc 0
59 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 8.24186 5.63086 11.7705 13.0974 5.88703 9.45496 12.9605 7.85175 7.5366 numMergedOcc 0
60 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 8.24186 11.7705 5.6819 13.0974 5.88703 12.9605 6.7625 7.85175 7.5366 numMergedOcc 0
61 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 8.24186 5.6819 11.7705 13.0974 5.88703 6.7625 12.9605 7.85175 7.5366 numMergedOcc 0
62 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 8.24186 5.63086 5.6819 13.0974 5.88703 9.45496 6.7625 7.85175 7.5366 numMergedOcc 0
63 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 8.24186 5.6819 5.63086 13.0974 5.88703 6.7625 9.45496 7.85175 7.5366 numMergedOcc 0
64 mol 234 unq 2 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 7.5366 5.63086 5.6819 13.0974 5.88703 6.56247 9.36357 6.25105 8.24186 numMergedOcc 0
65 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 7.5366 5.6819 5.63086 13.0974 5.88703 9.36357 6.56247 6.25105 8.24186 numMergedOcc 0
66 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 8.50331 7.22918 9.05842 11.6774 7.28249 8.03456 6.84306 7.17676 11.9847 numMergedOcc 0
67 mol 236 unq 0 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 8.50331 9.05842 7.22918 11.6774 7.28249 6.84306 8.03456 7.17676 11.9847 numMergedOcc 0
68 mol 236 unq 1 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 8.50331 7.22918 7.00028 11.6774 7.28249 8.03456 9.99038 7.17676 11.9847 numMergedOcc 0
69 mol 236 unq 1 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 8.50331 7.00028 7.22918 11.6774 7.28249 9.99038 8.03456 7.17676 11.9847 numMergedOcc 0
70 mol 236 unq 1 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 8.50331 9.05842 7.00028 11.6774 7.28249 6.84306 9.99038 7.17676 11.9847 numMergedOcc 0
71 mol 236 unq 1 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 8.50331 7.00028 9.05842 11.6774 7.28249 9.99038 6.84306 7.17676 11.9847 numMergedOcc 0
72 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 9.09992 10.841 5.63139 9.19033 10.26 13.5034 11.8912 5.40809 13.2494 8.33638 6.73206 11.9971 numMergedOcc 0
73 mol 272 unq 0 iso 1 dist 8.46116 9.97651 8.12676 9.09992 5.63139 10.841 9.19033 13.5034 10.26 11.8912 5.40809 8.33638 13.2494 6.73206 11.9971 numMergedOcc 0
