0 mol 11 unq 0 iso 0 dist 4.79838 7.5901 9.81983 9.58844 9.89425 9.74251 3.56133 6.83186 6.51674 12.0683 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.56614 5.48936 7.37118 10.4688 6.52283 10.3779 9.78639 4.75881 8.00615 3.41186 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.16443 12.9941 7.11491 8.78858 7.78689 8.23404 5.59994 8.22812 11.6319 9.26377 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.16443 12.9941 7.11491 8.78858 7.78689 8.23404 7.78417 4.22002 5.39812 4.88527 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.16443 12.9941 7.11491 8.78858 7.78689 8.23404 5.47187 5.77855 8.55482 4.76279 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.16443 12.9941 7.11491 8.78858 7.78689 8.23404 12.2824 8.10774 3.59761 5.56357 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.16443 12.9941 7.11491 8.78858 7.78689 8.23404 12.3016 6.5241 3.50984 9.94951 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 4.53565 8.24402 5.82264 8.48136 7.7927 5.50677 7.08546 5.37439 6.30002 4.10953 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 4.53565 8.24402 5.82264 8.48136 7.7927 5.50677 8.61607 8.3714 9.72383 5.70353 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 4.53565 8.24402 5.82264 8.48136 7.7927 5.50677 4.12075 6.36817 11.5388 11.246 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 4.53565 8.24402 5.82264 6.27695 6.17378 3.90503 7.08546 5.37439 6.30002 5.46483 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 4.53565 8.24402 5.82264 6.27695 6.17378 3.90503 8.61607 8.3714 9.72383 7.86518 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 4.53565 8.24402 5.82264 6.27695 6.17378 3.90503 4.12075 6.36817 11.5388 9.92075 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 4.53565 4.40229 8.56365 8.48136 7.7927 11.8248 7.08546 5.37439 11.2833 4.10953 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 4.53565 4.40229 8.56365 8.48136 7.7927 11.8248 8.61607 8.3714 12.3471 5.70353 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 4.53565 4.40229 8.56365 8.48136 7.7927 11.8248 4.12075 6.36817 6.34854 11.246 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 4.53565 4.40229 8.56365 6.27695 6.17378 9.10288 7.08546 5.37439 11.2833 5.46483 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 4.53565 4.40229 8.56365 6.27695 6.17378 9.10288 8.61607 8.3714 12.3471 7.86518 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 4.53565 4.40229 8.56365 6.27695 6.17378 9.10288 4.12075 6.36817 6.34854 9.92075 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 7.08628 13.0328 7.1829 8.51227 7.70645 8.13327 12.2601 8.14245 3.60121 5.43784 numMergedOcc 0
20 mol 48 unq 18 iso 0 dist 7.08628 13.0328 7.1829 8.51227 7.70645 8.13327 12.2529 6.36817 3.65036 9.7018 numMergedOcc 0
21 mol 48 unq 19 iso 0 dist 7.08628 13.0328 7.1829 8.51227 7.70645 8.13327 5.98272 8.0812 11.611 8.95384 numMergedOcc 0
22 mol 48 unq 20 iso 0 dist 7.08628 13.0328 7.1829 8.51227 7.70645 8.13327 7.83821 4.17933 5.37655 4.57947 numMergedOcc 0
23 mol 48 unq 21 iso 0 dist 7.08628 13.0328 7.1829 8.51227 7.70645 8.13327 5.51708 5.54893 8.48119 4.60843 numMergedOcc 0
24 mol 79 unq 0 iso 0 dist 7.90338 5.97134 6.2576 6.25647 7.92114 4.03842 4.35906 4.15789 4.37918 4.69555 numMergedOcc 0
25 mol 79 unq 1 iso 0 dist 7.90338 5.97134 6.2576 5.72646 8.18375 3.81317 4.35906 4.15789 4.37918 6.49084 numMergedOcc 0
26 mol 79 unq 2 iso 0 dist 7.90338 9.00783 8.96069 6.25647 7.92114 10.6312 4.35906 4.15789 9.08423 4.69555 numMergedOcc 0
27 mol 79 unq 3 iso 0 dist 7.90338 9.00783 8.96069 5.72646 8.18375 4.08868 4.35906 4.15789 9.08423 6.49084 numMergedOcc 0
28 mol 79 unq 4 iso 0 dist 7.90338 4.52595 7.56495 6.25647 7.92114 9.78235 4.35906 4.15789 6.29733 4.69555 numMergedOcc 0
29 mol 79 unq 5 iso 0 dist 7.90338 4.52595 7.56495 5.72646 8.18375 6.06691 4.35906 4.15789 6.29733 6.49084 numMergedOcc 0
30 mol 79 unq 6 iso 0 dist 5.82384 8.45612 7.38548 6.19285 4.74254 6.0749 4.39784 6.20144 5.79629 7.19532 numMergedOcc 0
31 mol 79 unq 7 iso 0 dist 7.15907 4.58851 7.38548 4.47084 4.74254 6.0749 5.01567 6.20144 5.79629 7.19532 numMergedOcc 0
32 mol 85 unq 0 iso 0 dist 5.61151 5.75469 9.13593 7.2898 4.29937 10.797 10.803 6.67137 13.6534 3.65186 numMergedOcc 0
33 mol 85 unq 1 iso 0 dist 5.61151 5.75469 9.13593 7.2898 4.29937 10.797 5.49707 9.78707 3.93938 12.2971 numMergedOcc 0
34 mol 85 unq 2 iso 0 dist 5.61151 5.75469 9.13593 4.13305 3.65628 7.04693 10.803 6.67137 13.6534 7.00044 numMergedOcc 0
35 mol 85 unq 3 iso 0 dist 5.61151 5.75469 9.13593 4.13305 3.65628 7.04693 5.49707 9.78707 3.93938 8.64367 numMergedOcc 0
36 mol 85 unq 4 iso 0 dist 5.61151 5.75469 9.13593 6.42723 9.77774 6.7475 10.803 6.67137 13.6534 16.1804 numMergedOcc 0
37 mol 85 unq 5 iso 0 dist 5.61151 5.75469 9.13593 6.42723 9.77774 6.7475 5.49707 9.78707 3.93938 3.21259 numMergedOcc 0
38 mol 85 unq 6 iso 0 dist 6.54289 5.75469 8.25144 7.2898 5.37869 10.797 10.803 7.04244 13.6534 3.65186 numMergedOcc 0
39 mol 85 unq 7 iso 0 dist 6.54289 5.75469 8.25144 7.2898 5.37869 10.797 11.6623 7.07839 9.66391 10.0372 numMergedOcc 0
40 mol 85 unq 8 iso 0 dist 6.54289 5.75469 8.25144 7.2898 5.37869 10.797 15.6048 9.09711 15.6454 11.8779 numMergedOcc 0
41 mol 85 unq 9 iso 0 dist 6.54289 5.75469 8.25144 7.2898 5.37869 10.797 5.49707 9.63449 3.93938 12.2971 numMergedOcc 0
42 mol 85 unq 10 iso 0 dist 6.54289 5.75469 8.25144 7.2898 5.37869 10.797 13.4097 7.91193 11.6517 11.7094 numMergedOcc 0
43 mol 85 unq 11 iso 0 dist 6.54289 5.75469 8.25144 4.13305 4.05415 7.04693 10.803 7.04244 13.6534 7.00044 numMergedOcc 0
44 mol 85 unq 12 iso 0 dist 6.54289 5.75469 8.25144 4.13305 4.05415 7.04693 11.6623 7.07839 9.66391 8.78995 numMergedOcc 0
45 mol 85 unq 13 iso 0 dist 6.54289 5.75469 8.25144 4.13305 4.05415 7.04693 15.6048 9.09711 15.6454 12.4835 numMergedOcc 0
46 mol 85 unq 14 iso 0 dist 6.54289 5.75469 8.25144 4.13305 4.05415 7.04693 5.49707 9.63449 3.93938 8.64367 numMergedOcc 0
47 mol 85 unq 15 iso 0 dist 6.54289 5.75469 8.25144 4.13305 4.05415 7.04693 13.4097 7.91193 11.6517 10.7591 numMergedOcc 0
48 mol 85 unq 16 iso 0 dist 6.54289 5.75469 8.25144 6.42723 9.97944 6.7475 10.803 7.04244 13.6534 16.1804 numMergedOcc 0
49 mol 85 unq 17 iso 0 dist 6.54289 5.75469 8.25144 6.42723 9.97944 6.7475 15.6048 9.09711 15.6454 17.9023 numMergedOcc 0
50 mol 85 unq 18 iso 0 dist 6.54289 5.75469 8.25144 6.42723 9.97944 6.7475 11.6623 7.07839 9.66391 14.2664 numMergedOcc 0
51 mol 85 unq 19 iso 0 dist 6.54289 5.75469 8.25144 6.42723 9.97944 6.7475 5.49707 9.63449 3.93938 3.21259 numMergedOcc 0
52 mol 85 unq 20 iso 0 dist 6.54289 5.75469 8.25144 6.42723 9.97944 6.7475 13.4097 7.91193 11.6517 15.1209 numMergedOcc 0
53 mol 85 unq 21 iso 0 dist 7.52869 7.66862 8.25144 8.37735 5.37869 10.797 9.46256 7.04244 13.6534 3.65186 numMergedOcc 0
54 mol 85 unq 22 iso 0 dist 7.52869 7.66862 8.25144 8.37735 5.37869 10.797 4.86391 7.07839 9.66391 10.0372 numMergedOcc 0
55 mol 85 unq 23 iso 0 dist 7.52869 7.66862 8.25144 8.37735 5.37869 10.797 11.3191 9.63449 3.93938 12.2971 numMergedOcc 0
56 mol 85 unq 24 iso 0 dist 7.52869 7.66862 8.25144 8.37735 5.37869 10.797 8.06224 7.91193 11.6517 11.7094 numMergedOcc 0
57 mol 85 unq 25 iso 0 dist 7.52869 7.66862 8.25144 8.37735 5.37869 10.797 11.6463 9.09711 15.6454 11.8779 numMergedOcc 0
58 mol 85 unq 26 iso 0 dist 7.52869 7.66862 8.25144 6.66973 4.05415 7.04693 9.46256 7.04244 13.6534 7.00044 numMergedOcc 0
59 mol 85 unq 27 iso 0 dist 7.52869 7.66862 8.25144 6.66973 4.05415 7.04693 4.86391 7.07839 9.66391 8.78995 numMergedOcc 0
60 mol 85 unq 28 iso 0 dist 7.52869 7.66862 8.25144 6.66973 4.05415 7.04693 11.3191 9.63449 3.93938 8.64367 numMergedOcc 0
61 mol 85 unq 29 iso 0 dist 7.52869 7.66862 8.25144 6.66973 4.05415 7.04693 8.06224 7.91193 11.6517 10.7591 numMergedOcc 0
62 mol 85 unq 30 iso 0 dist 7.52869 7.66862 8.25144 6.66973 4.05415 7.04693 11.6463 9.09711 15.6454 12.4835 numMergedOcc 0
63 mol 85 unq 31 iso 0 dist 7.52869 7.66862 8.25144 13.5088 9.97944 6.7475 9.46256 7.04244 13.6534 16.1804 numMergedOcc 0
64 mol 85 unq 32 iso 0 dist 7.52869 7.66862 8.25144 13.5088 9.97944 6.7475 4.86391 7.07839 9.66391 14.2664 numMergedOcc 0
65 mol 85 unq 33 iso 0 dist 7.52869 7.66862 8.25144 13.5088 9.97944 6.7475 11.3191 9.63449 3.93938 3.21259 numMergedOcc 0
66 mol 85 unq 34 iso 0 dist 7.52869 7.66862 8.25144 13.5088 9.97944 6.7475 8.06224 7.91193 11.6517 15.1209 numMergedOcc 0
67 mol 85 unq 35 iso 0 dist 7.52869 7.66862 8.25144 13.5088 9.97944 6.7475 11.6463 9.09711 15.6454 17.9023 numMergedOcc 0
68 mol 85 unq 36 iso 0 dist 9.18945 11.7978 8.25144 6.17924 5.37869 10.797 6.34431 7.04244 13.6534 3.65186 numMergedOcc 0
69 mol 85 unq 37 iso 0 dist 9.18945 11.7978 8.25144 6.17924 5.37869 10.797 9.18879 7.07839 9.66391 10.0372 numMergedOcc 0
70 mol 85 unq 38 iso 0 dist 9.18945 11.7978 8.25144 6.17924 5.37869 10.797 14.7195 9.63449 3.93938 12.2971 numMergedOcc 0
71 mol 85 unq 39 iso 0 dist 9.18945 11.7978 8.25144 6.17924 5.37869 10.797 11.8663 7.91193 11.6517 11.7094 numMergedOcc 0
72 mol 85 unq 40 iso 0 dist 9.18945 11.7978 8.25144 6.17924 5.37869 10.797 13.1591 9.09711 15.6454 11.8779 numMergedOcc 0
73 mol 85 unq 41 iso 0 dist 9.18945 11.7978 8.25144 7.15173 4.05415 7.04693 6.34431 7.04244 13.6534 7.00044 numMergedOcc 0
74 mol 85 unq 42 iso 0 dist 9.18945 11.7978 8.25144 7.15173 4.05415 7.04693 9.18879 7.07839 9.66391 8.78995 numMergedOcc 0
75 mol 85 unq 43 iso 0 dist 9.18945 11.7978 8.25144 7.15173 4.05415 7.04693 14.7195 9.63449 3.93938 8.64367 numMergedOcc 0
76 mol 85 unq 44 iso 0 dist 9.18945 11.7978 8.25144 7.15173 4.05415 7.04693 11.8663 7.91193 11.6517 10.7591 numMergedOcc 0
77 mol 85 unq 45 iso 0 dist 9.18945 11.7978 8.25144 7.15173 4.05415 7.04693 13.1591 9.09711 15.6454 12.4835 numMergedOcc 0
78 mol 85 unq 46 iso 0 dist 9.18945 11.7978 8.25144 16.574 9.97944 6.7475 6.34431 7.04244 13.6534 16.1804 numMergedOcc 0
79 mol 85 unq 47 iso 0 dist 9.18945 11.7978 8.25144 16.574 9.97944 6.7475 9.18879 7.07839 9.66391 14.2664 numMergedOcc 0
80 mol 85 unq 48 iso 0 dist 9.18945 11.7978 8.25144 16.574 9.97944 6.7475 14.7195 9.63449 3.93938 3.21259 numMergedOcc 0
81 mol 85 unq 49 iso 0 dist 9.18945 11.7978 8.25144 16.574 9.97944 6.7475 11.8663 7.91193 11.6517 15.1209 numMergedOcc 0
82 mol 85 unq 50 iso 0 dist 9.18945 11.7978 8.25144 16.574 9.97944 6.7475 13.1591 9.09711 15.6454 17.9023 numMergedOcc 0
83 mol 101 unq 0 iso 0 dist 8.35515 7.83985 9.44645 9.00107 9.33112 14.6961 11.7377 8.19144 13.0976 7.5541 numMergedOcc 0
84 mol 123 unq 0 iso 0 dist 8.53618 12.1983 7.30244 9.7027 4.14492 10.9073 4.43225 5.56127 7.88813 8.42496 numMergedOcc 0
85 mol 123 unq 1 iso 0 dist 8.53618 12.1983 7.30244 9.7027 4.14492 10.9073 14.0485 8.03692 4.10526 10.3919 numMergedOcc 0
86 mol 123 unq 2 iso 0 dist 8.53618 12.1983 7.30244 9.7027 4.14492 10.9073 8.58632 5.36214 12.6384 3.3389 numMergedOcc 0
87 mol 213 unq 0 iso 0 dist 6.8984 10.5013 8.59946 4.31175 9.02881 8.99471 14.229 9.71831 6.78109 14.4808 numMergedOcc 0
88 mol 213 unq 1 iso 0 dist 7.77553 9.93085 8.59946 4.89372 9.02881 8.99471 14.9475 9.71831 6.78109 14.4808 numMergedOcc 0
89 mol 214 unq 0 iso 0 dist 7.72298 10.8576 8.41013 7.451 6.50654 3.94038 6.05252 7.96338 6.28944 4.84709 numMergedOcc 0
90 mol 214 unq 1 iso 0 dist 7.72298 10.8576 8.41013 7.451 6.50654 3.94038 4.00138 7.42759 7.23583 4.16963 numMergedOcc 0
91 mol 254 unq 0 iso 0 dist 6.59989 8.57314 9.31434 5.91806 5.6417 3.91259 4.84855 7.85841 11.0708 8.8967 numMergedOcc 0
92 mol 254 unq 1 iso 0 dist 6.59989 8.57314 9.31434 5.91806 5.6417 3.91259 5.67608 9.20109 13.4911 10.929 numMergedOcc 0
93 mol 254 unq 2 iso 0 dist 6.59989 8.57314 9.31434 5.04088 7.42831 5.53173 4.84855 7.85841 11.0708 9.42679 numMergedOcc 0
94 mol 254 unq 3 iso 0 dist 6.59989 8.57314 9.31434 5.04088 7.42831 5.53173 5.67608 9.20109 13.4911 10.706 numMergedOcc 0
95 mol 285 unq 0 iso 0 dist 6.01404 4.39689 8.79261 4.3249 4.27826 6.3633 6.01515 5.88958 8.78384 3.14843 numMergedOcc 0
