0 mol 1 unq 0 iso 0 dist 9.00903 8.56884 9.01967 7.4817 9.12196 14.2607 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 10.2446 7.88043 7.45262 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 6.36911 6.06176 12.3097 8.80762 6.96586 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.10621 7.31201 10.789 5.44992 5.72491 9.55056 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 7.10621 9.36807 10.515 5.44992 5.72491 7.45262 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 3.98483 9.78006 8.04924 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 7.63133 5.47769 5.94084 10.454 6.56335 11.6017 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 5.46498 6.58035 5.94084 6.70071 6.56335 11.6017 numMergedOcc 0
8 mol 16 unq 2 iso 0 dist 5.46498 8.41862 6.73355 6.70071 6.56335 7.40724 numMergedOcc 0
9 mol 16 unq 3 iso 0 dist 8.71745 8.16785 6.73355 4.50891 6.56335 7.40724 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 12.3486 6.92532 11.2198 numMergedOcc 0
11 mol 19 unq 1 iso 0 dist 6.864 8.58657 5.5841 9.47529 6.92532 11.2198 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 6.00575 6.60423 8.62284 numMergedOcc 0
13 mol 26 unq 0 iso 0 dist 8.34347 6.73162 7.23546 10.6756 5.69955 12.4188 numMergedOcc 0
14 mol 26 unq 1 iso 0 dist 8.34347 9.16962 11.887 13.2876 8.44506 19.4863 numMergedOcc 0
15 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 9.06158 9.93832 16.8624 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 9.06158 8.60739 16.8624 numMergedOcc 0
17 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 11.6164 9.44459 11.3961 numMergedOcc 0
18 mol 52 unq 0 iso 0 dist 7.34143 7.18176 4.5482 8.9759 9.9052 13.3077 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 6.19965 9.47876 11.6116 7.91778 7.33422 16.0288 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 7.66905 7.22293 11.6116 10.121 7.33422 16.0288 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 7.47343 7.75343 15.209 14.9392 9.00544 22.2111 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.47343 7.75343 15.209 12.6602 7.12017 19.9317 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 5.83991 7.76729 10.9739 6.4497 5.72642 14.0242 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 6.11741 9.66954 4.61908 6.08806 5.74857 9.62857 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 6.11741 7.64585 10.8939 6.08806 5.74857 13.5029 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 7.88312 8.66155 4.61908 7.21418 5.74857 9.62857 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 7.88312 6.99777 11.7126 7.3094 5.72642 9.9928 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 7.88312 9.14376 4.62962 7.3094 5.72642 9.68845 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 4.91132 8.56342 5.85818 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 6.08167 6.37542 13.4689 numMergedOcc 0
31 mol 119 unq 2 iso 0 dist 9.87172 9.38288 11.7228 7.61939 7.99857 15.0419 numMergedOcc 0
32 mol 119 unq 3 iso 0 dist 9.87172 6.19042 6.35763 7.61939 7.99857 9.87025 numMergedOcc 0
33 mol 119 unq 4 iso 0 dist 9.87172 7.44174 7.36192 7.61939 7.99857 5.85818 numMergedOcc 0
34 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 5.97111 8.33077 6.42785 numMergedOcc 0
35 mol 130 unq 1 iso 0 dist 8.70949 8.74308 6.76754 5.97111 8.33077 10.3718 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 8.56324 9.13561 5.99333 9.35627 9.77552 14.187 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 6.70283 9.13561 8.25411 9.35627 8.28642 14.187 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 8.34702 7.36119 11.787 6.44255 9.43259 10.8344 numMergedOcc 0
39 mol 156 unq 1 iso 0 dist 8.34702 7.36119 11.787 5.82636 6.2319 11.6744 numMergedOcc 0
40 mol 156 unq 2 iso 0 dist 9.06726 7.36119 7.71144 5.82636 9.97732 11.6744 numMergedOcc 0
41 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 4.24624 8.0154 12.0318 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 5.93488 6.51749 7.345 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 5.98885 7.13543 10.0524 5.93488 6.51749 9.52987 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 9.09537 7.20046 6.14208 5.93488 7.20392 7.345 numMergedOcc 0
45 mol 181 unq 3 iso 0 dist 9.09537 7.13543 5.95965 5.93488 7.20392 9.52987 numMergedOcc 0
46 mol 181 unq 4 iso 0 dist 9.15386 9.6668 8.25067 7.64267 6.51749 11.1398 numMergedOcc 0
47 mol 192 unq 0 iso 0 dist 5.59424 8.36822 5.71262 7.0057 7.24199 8.53433 numMergedOcc 0
48 mol 205 unq 0 iso 0 dist 6.03031 9.19704 8.66809 5.28092 8.44861 5.42696 numMergedOcc 0
49 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 5.28092 5.60393 5.42696 numMergedOcc 0
50 mol 209 unq 0 iso 0 dist 7.56373 7.95911 7.19056 4.90038 8.41195 11.4242 numMergedOcc 0
51 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 5.63388 6.38157 5.10114 numMergedOcc 0
52 mol 222 unq 0 iso 0 dist 7.54212 7.18956 7.61682 7.60395 8.48341 13.3287 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 10.5813 8.03442 7.1372 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 7.22396 8.03442 10.841 numMergedOcc 0
55 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 7.22396 8.03442 7.1372 numMergedOcc 0
56 mol 227 unq 3 iso 0 dist 7.55216 8.83563 11.662 9.69537 8.03442 17.6352 numMergedOcc 0
57 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 10.216 5.64181 6.44735 numMergedOcc 0
58 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 7.83352 5.64181 8.6597 numMergedOcc 0
59 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 7.83352 5.64181 7.47235 numMergedOcc 0
60 mol 238 unq 3 iso 0 dist 7.31233 7.67322 12.6986 7.83352 5.64181 10.3116 numMergedOcc 0
61 mol 238 unq 4 iso 0 dist 7.31233 7.19008 5.17471 7.83352 5.64181 6.44735 numMergedOcc 0
62 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 5.99459 6.17052 8.53148 numMergedOcc 0
63 mol 248 unq 1 iso 0 dist 7.21521 6.07192 5.51827 5.99459 9.77666 8.53148 numMergedOcc 0
64 mol 252 unq 0 iso 0 dist 8.1148 7.66365 4.23801 9.32326 6.11473 6.57207 numMergedOcc 0
65 mol 252 unq 1 iso 0 dist 8.1148 7.66365 4.23801 5.89666 8.47784 5.2361 numMergedOcc 0
66 mol 252 unq 2 iso 0 dist 8.1148 7.66365 4.23801 11.056 6.53679 10.1637 numMergedOcc 0
67 mol 252 unq 3 iso 0 dist 8.33025 7.66365 9.37715 11.056 7.50201 10.1637 numMergedOcc 0
68 mol 259 unq 0 iso 0 dist 7.46176 7.48005 5.79468 5.60748 8.55558 6.39918 numMergedOcc 0
69 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 7.31951 8.59697 6.39918 numMergedOcc 0
70 mol 261 unq 0 iso 0 dist 9.14619 7.47164 7.49174 6.04016 5.26434 9.24121 numMergedOcc 0
71 mol 261 unq 1 iso 0 dist 8.45658 7.47164 5.22253 6.04016 8.60026 9.24121 numMergedOcc 0
72 mol 272 unq 0 iso 0 dist 9.97651 9.09992 10.841 4.86504 9.64269 11.7075 numMergedOcc 0
73 mol 272 unq 1 iso 0 dist 9.97651 6.16449 4.72202 4.86504 9.64269 7.55161 numMergedOcc 0
74 mol 272 unq 2 iso 0 dist 8.33638 6.73206 5.63139 8.7909 8.46061 11.7075 numMergedOcc 0
75 mol 272 unq 3 iso 0 dist 8.46116 9.09992 5.63139 4.86504 8.46061 11.7075 numMergedOcc 0
76 mol 272 unq 4 iso 0 dist 8.46116 6.16449 8.52877 4.86504 8.46061 7.55161 numMergedOcc 0
77 mol 274 unq 0 iso 0 dist 8.49997 7.97444 6.8406 12.106 9.56685 15.6446 numMergedOcc 0
78 mol 274 unq 1 iso 0 dist 8.49997 7.97444 6.8406 12.9674 8.49922 14.4103 numMergedOcc 0
79 mol 294 unq 0 iso 0 dist 8.15665 9.03492 6.17102 5.25615 9.13907 8.32473 numMergedOcc 0
