0 mol 0 unq 0 iso 0 dist 9.23213 10.3034 6.3267 5.24778 8.34244 6.0597 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.47421 8.27962 9.29529 9.5997 9.57198 4.45625 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.47421 11.4878 7.2199 9.5997 9.57198 6.0397 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 9.53002 7.85924 5.43238 10.9183 8.73067 8.17605 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 9.77484 10.1814 8.11206 6.65855 8.71752 4.73598 numMergedOcc 0
5 mol 27 unq 1 iso 0 dist 9.77484 10.1814 8.11206 14.3929 7.60283 7.47886 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 7.45237 6.42104 8.43814 7.401 6.47855 10.3659 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 7.45237 6.42248 8.16689 7.401 6.47855 5.7332 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 10.7082 5.55096 8.70414 numMergedOcc 0
9 mol 45 unq 1 iso 0 dist 9.20119 16.2375 8.13782 10.7082 5.55096 6.39184 numMergedOcc 0
10 mol 45 unq 2 iso 0 dist 6.99408 7.39653 8.13782 8.26635 7.21995 9.85038 numMergedOcc 0
11 mol 45 unq 3 iso 0 dist 6.99408 7.39653 8.13782 13.4503 9.62637 13.1805 numMergedOcc 0
12 mol 45 unq 4 iso 0 dist 9.3403 10.6095 8.13782 5.05051 7.21995 9.85038 numMergedOcc 0
13 mol 45 unq 5 iso 0 dist 9.3403 10.6095 8.13782 10.6148 9.62637 13.1805 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.40841 4.55117 8.80108 7.12541 8.71468 10.8421 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 6.40841 5.64209 6.50297 7.12541 8.71468 11.3634 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 8.63333 10.6476 6.96494 10.2049 9.11258 13.4366 numMergedOcc 0
17 mol 58 unq 3 iso 0 dist 8.63333 5.92889 7.01363 10.2049 9.11258 8.88332 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 8.89374 12.7331 6.96494 5.49591 9.11258 13.4366 numMergedOcc 0
19 mol 58 unq 5 iso 0 dist 8.89374 7.05413 7.01363 5.49591 9.11258 8.88332 numMergedOcc 0
20 mol 58 unq 6 iso 0 dist 6.46761 8.74789 6.96494 5.85698 9.11258 13.4366 numMergedOcc 0
21 mol 58 unq 7 iso 0 dist 6.46761 6.61756 7.01363 5.85698 9.11258 8.88332 numMergedOcc 0
22 mol 58 unq 8 iso 0 dist 7.58407 14.7581 8.80108 11.387 8.71468 10.8421 numMergedOcc 0
23 mol 58 unq 9 iso 0 dist 7.58407 8.74789 6.50297 11.387 8.71468 11.3634 numMergedOcc 0
24 mol 58 unq 10 iso 0 dist 9.73139 7.02095 6.96494 12.2123 9.11258 13.4366 numMergedOcc 0
25 mol 58 unq 11 iso 0 dist 9.73139 8.94672 7.01363 12.2123 9.11258 8.88332 numMergedOcc 0
26 mol 58 unq 12 iso 0 dist 6.31428 10.3782 8.80108 5.74871 8.71468 10.8421 numMergedOcc 0
27 mol 58 unq 13 iso 0 dist 6.31428 7.02095 6.50297 5.74871 8.71468 11.3634 numMergedOcc 0
28 mol 59 unq 0 iso 0 dist 6.71911 5.3525 6.5096 9.64444 9.2902 7.0313 numMergedOcc 0
29 mol 64 unq 0 iso 0 dist 8.68586 5.35421 8.4517 6.21578 9.32552 6.90629 numMergedOcc 0
30 mol 64 unq 1 iso 0 dist 9.54144 5.68303 8.4517 11.4485 9.32552 6.90629 numMergedOcc 0
31 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 13.7032 9.83981 9.47219 numMergedOcc 0
32 mol 114 unq 1 iso 0 dist 6.73814 6.95201 8.39249 13.7032 9.83981 14.0577 numMergedOcc 0
33 mol 114 unq 2 iso 0 dist 6.73814 5.9968 8.93623 13.7032 9.83981 10.6837 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 7.76729 6.34759 7.99631 14.0688 7.70313 11.4407 numMergedOcc 0
35 mol 115 unq 1 iso 0 dist 7.76729 10.2377 6.40036 14.0688 7.70313 5.67953 numMergedOcc 0
36 mol 115 unq 2 iso 0 dist 7.64585 10.7942 6.40036 6.40494 7.52142 9.65908 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 7.92688 11.8989 9.94276 5.92062 6.51868 6.00607 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 7.92688 11.8989 9.94276 6.61891 7.34698 12.0514 numMergedOcc 0
39 mol 133 unq 2 iso 0 dist 7.92688 15.0734 9.05357 5.92062 6.51868 10.2267 numMergedOcc 0
40 mol 133 unq 3 iso 0 dist 7.92688 15.0734 9.05357 6.61891 7.34698 14.5639 numMergedOcc 0
41 mol 133 unq 4 iso 0 dist 7.92688 9.58627 5.99299 5.92062 6.51868 5.59913 numMergedOcc 0
42 mol 133 unq 5 iso 0 dist 7.92688 9.58627 5.99299 6.61891 7.34698 6.27692 numMergedOcc 0
43 mol 134 unq 0 iso 0 dist 8.94837 5.9915 6.4218 14.2198 6.93279 12.2578 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 7.77454 10.7186 6.4218 11.147 6.93279 12.2578 numMergedOcc 0
45 mol 140 unq 0 iso 0 dist 6.95323 6.69673 5.63811 5.64422 8.60108 4.35399 numMergedOcc 0
46 mol 140 unq 1 iso 0 dist 6.95323 5.58533 7.49546 5.64422 8.60108 9.73775 numMergedOcc 0
47 mol 140 unq 2 iso 0 dist 7.27371 8.17877 5.63811 7.3833 8.60108 4.35399 numMergedOcc 0
48 mol 140 unq 3 iso 0 dist 7.27371 4.6872 7.49546 7.3833 8.60108 9.73775 numMergedOcc 0
49 mol 141 unq 0 iso 0 dist 6.93652 7.57216 6.2135 7.42649 5.26989 8.7258 numMergedOcc 0
50 mol 141 unq 1 iso 0 dist 6.93652 7.57216 6.2135 10.6531 7.76442 6.67552 numMergedOcc 0
51 mol 141 unq 2 iso 0 dist 9.54444 6.96143 6.2135 8.39549 5.26989 8.7258 numMergedOcc 0
52 mol 141 unq 3 iso 0 dist 9.54444 6.96143 6.2135 8.43221 7.76442 6.67552 numMergedOcc 0
53 mol 155 unq 0 iso 0 dist 7.16254 4.9093 6.51096 10.4923 9.0529 7.6506 numMergedOcc 0
54 mol 155 unq 1 iso 0 dist 7.16254 10.7896 8.73171 10.4923 9.0529 6.00473 numMergedOcc 0
55 mol 155 unq 2 iso 0 dist 9.86313 13.5062 7.37901 11.0769 9.80845 5.50045 numMergedOcc 0
56 mol 155 unq 3 iso 0 dist 9.86313 13.5062 7.37901 10.4923 7.55196 6.40403 numMergedOcc 0
57 mol 155 unq 4 iso 0 dist 9.14392 6.3437 6.51096 6.89781 9.0529 7.6506 numMergedOcc 0
58 mol 155 unq 5 iso 0 dist 9.14392 9.99927 8.73171 6.89781 9.0529 6.00473 numMergedOcc 0
59 mol 155 unq 6 iso 0 dist 7.51198 8.27726 7.37901 5.50031 9.80845 5.50045 numMergedOcc 0
60 mol 155 unq 7 iso 0 dist 7.51198 8.27726 7.37901 6.89781 7.55196 6.40403 numMergedOcc 0
61 mol 156 unq 0 iso 0 dist 6.27641 6.29785 6.90155 5.4555 5.81122 10.143 numMergedOcc 0
62 mol 173 unq 0 iso 0 dist 7.93331 13.3053 9.79554 6.14414 8.41245 12.6533 numMergedOcc 0
63 mol 173 unq 1 iso 0 dist 7.93331 13.3053 9.79554 4.72839 6.64779 15.1434 numMergedOcc 0
64 mol 173 unq 2 iso 0 dist 6.98095 8.94065 9.79554 5.27321 8.41245 12.6533 numMergedOcc 0
65 mol 173 unq 3 iso 0 dist 6.98095 8.94065 9.79554 8.07089 6.64779 15.1434 numMergedOcc 0
66 mol 173 unq 4 iso 0 dist 8.31897 14.2537 9.79554 10.8609 8.41245 12.6533 numMergedOcc 0
67 mol 173 unq 5 iso 0 dist 8.31897 14.2537 9.79554 5.70743 6.64779 15.1434 numMergedOcc 0
68 mol 175 unq 0 iso 0 dist 9.8589 11.0415 4.79852 8.29015 5.4997 4.30489 numMergedOcc 0
69 mol 175 unq 1 iso 0 dist 9.8589 11.0415 4.79852 14.7282 6.99693 4.57622 numMergedOcc 0
70 mol 175 unq 2 iso 0 dist 7.24908 5.0384 4.79852 4.63177 5.4997 4.30489 numMergedOcc 0
71 mol 175 unq 3 iso 0 dist 7.24908 5.0384 4.79852 9.30597 6.99693 4.57622 numMergedOcc 0
72 mol 181 unq 0 iso 0 dist 6.94688 8.25067 8.20656 6.6251 9.06217 14.048 numMergedOcc 0
73 mol 181 unq 1 iso 0 dist 6.71012 8.25067 9.40622 6.6251 7.13252 14.048 numMergedOcc 0
74 mol 181 unq 2 iso 0 dist 9.6668 6.80228 8.20656 9.34211 5.95304 4.43678 numMergedOcc 0
75 mol 181 unq 3 iso 0 dist 9.6668 11.6919 9.40622 9.34211 5.95304 6.03415 numMergedOcc 0
76 mol 194 unq 0 iso 0 dist 6.95408 7.11879 6.41318 5.43725 9.86703 12.2576 numMergedOcc 0
77 mol 194 unq 1 iso 0 dist 9.57538 8.89656 6.41318 10.0597 9.86703 12.2576 numMergedOcc 0
78 mol 194 unq 2 iso 0 dist 9.2285 7.8502 6.41318 13.5246 9.86703 12.2576 numMergedOcc 0
79 mol 194 unq 3 iso 0 dist 7.58278 7.82648 6.41318 14.8824 9.86703 12.2576 numMergedOcc 0
80 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 8.32583 9.47117 17.6349 numMergedOcc 0
81 mol 225 unq 1 iso 0 dist 5.50387 7.12954 9.36396 8.32583 9.47117 5.25065 numMergedOcc 0
82 mol 227 unq 0 iso 0 dist 8.17891 13.3557 7.95168 10.9607 7.57454 9.75331 numMergedOcc 0
83 mol 227 unq 1 iso 0 dist 6.95902 8.8709 7.95168 9.72615 7.57454 9.75331 numMergedOcc 0
84 mol 232 unq 0 iso 0 dist 7.07392 6.66754 9.86861 6.2188 7.10413 10.4271 numMergedOcc 0
85 mol 232 unq 1 iso 0 dist 9.62952 5.82592 9.86861 6.09015 7.10413 10.4271 numMergedOcc 0
86 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 10.0059 7.43663 7.17691 numMergedOcc 0
87 mol 234 unq 1 iso 0 dist 9.5707 12.1076 9.6101 10.0059 7.43663 4.51304 numMergedOcc 0
88 mol 234 unq 2 iso 0 dist 9.39181 6.29366 5.32183 5.08515 7.94068 4.51304 numMergedOcc 0
89 mol 234 unq 3 iso 0 dist 9.39181 6.29366 5.32183 12.6661 7.22019 6.56416 numMergedOcc 0
90 mol 235 unq 0 iso 0 dist 5.65339 6.43692 7.27958 7.77516 6.54825 10.1944 numMergedOcc 0
91 mol 235 unq 1 iso 0 dist 8.21247 10.6981 7.27958 7.60081 7.95766 4.29892 numMergedOcc 0
92 mol 238 unq 0 iso 0 dist 8.14172 5.68826 6.00721 12.2874 8.90076 13.3255 numMergedOcc 0
93 mol 238 unq 1 iso 0 dist 8.14172 5.68826 6.00721 7.11984 6.62002 9.71156 numMergedOcc 0
94 mol 238 unq 2 iso 0 dist 6.77463 4.87097 6.00721 10.4017 8.90076 13.3255 numMergedOcc 0
95 mol 238 unq 3 iso 0 dist 6.77463 4.87097 6.00721 7.95232 6.62002 9.71156 numMergedOcc 0
96 mol 259 unq 0 iso 0 dist 7.50578 11.5772 8.76313 14.3125 8.92185 5.19922 numMergedOcc 0
97 mol 259 unq 1 iso 0 dist 7.50578 7.44916 7.4363 14.3125 8.92185 10.2977 numMergedOcc 0
98 mol 270 unq 0 iso 0 dist 8.25349 10.1677 9.16073 5.43023 7.89388 6.0625 numMergedOcc 0
99 mol 270 unq 1 iso 0 dist 8.25349 10.4895 8.39167 5.43023 7.89388 5.91256 numMergedOcc 0
100 mol 274 unq 0 iso 0 dist 9.19234 14.168 8.49866 5.64601 9.20749 11.0599 numMergedOcc 0
