0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 12.0193 5.99972 10.6471 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 7.31201 10.789 13.8829 8.72114 13.6379 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 13.8829 8.72114 9.97624 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 9.5997 9.62394 9.57198 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 4.39605 7.48342 10.0974 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 9.97507 7.12903 5.90976 12.1303 7.48342 10.0974 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 5.30082 6.93532 11.7521 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 6.31718 5.47769 6.2983 10.4366 6.93532 11.7521 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 4.96411 7.75618 7.02548 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 8.4674 6.20943 5.14627 4.64838 6.41575 5.82366 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 4.54938 8.78293 10.9543 4.97119 6.41575 13.1234 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 4.54938 8.23643 6.55187 4.97119 6.41575 11.3136 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 4.54938 7.82528 5.14627 4.97119 6.41575 5.82366 numMergedOcc 0
13 mol 19 unq 5 iso 0 dist 7.82074 8.73972 6.55187 6.01808 6.41575 11.3136 numMergedOcc 0
14 mol 19 unq 6 iso 0 dist 4.51865 6.20943 4.69858 4.64838 6.41423 5.82366 numMergedOcc 0
15 mol 19 unq 7 iso 0 dist 4.51865 8.58657 6.74265 7.08342 8.40416 7.02548 numMergedOcc 0
16 mol 19 unq 8 iso 0 dist 6.864 8.78293 11.4401 4.97119 6.41423 13.1234 numMergedOcc 0
17 mol 19 unq 9 iso 0 dist 6.864 8.23643 12.3093 4.97119 6.41423 11.3136 numMergedOcc 0
18 mol 19 unq 10 iso 0 dist 6.864 7.82528 4.69858 4.97119 6.41423 5.82366 numMergedOcc 0
19 mol 19 unq 11 iso 0 dist 6.864 8.58657 5.5841 7.08342 7.75618 7.02548 numMergedOcc 0
20 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 6.66749 9.41441 13.2857 numMergedOcc 0
21 mol 25 unq 0 iso 0 dist 6.03987 7.685 10.3635 5.68392 6.85556 9.71382 numMergedOcc 0
22 mol 54 unq 0 iso 0 dist 6.83299 5.02241 5.06052 4.29856 6.14538 6.30987 numMergedOcc 0
23 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 7.12541 7.21955 8.71468 numMergedOcc 0
24 mol 58 unq 1 iso 0 dist 6.86465 9.58673 5.92889 5.78774 9.92355 13.7654 numMergedOcc 0
25 mol 58 unq 2 iso 0 dist 6.86465 8.63333 6.47744 10.2049 8.80614 9.11258 numMergedOcc 0
26 mol 58 unq 3 iso 0 dist 6.62496 9.58673 10.2241 5.78774 5.93884 13.7654 numMergedOcc 0
27 mol 58 unq 4 iso 0 dist 6.62496 9.64665 4.67832 9.95364 8.80614 10.4309 numMergedOcc 0
28 mol 58 unq 5 iso 0 dist 6.35756 9.58673 7.05413 5.78774 7.68678 13.7654 numMergedOcc 0
29 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 numMergedOcc 0
30 mol 58 unq 7 iso 0 dist 9.55426 9.73139 13.1021 5.74871 7.21955 14.2645 numMergedOcc 0
31 mol 58 unq 8 iso 0 dist 9.55426 6.31428 6.75888 5.74871 7.21955 8.71468 numMergedOcc 0
32 mol 59 unq 0 iso 0 dist 7.71095 6.71911 5.33688 9.64444 6.73347 9.2902 numMergedOcc 0
33 mol 61 unq 0 iso 0 dist 6.65721 8.76003 5.83489 13.5488 9.25641 14.7343 numMergedOcc 0
34 mol 64 unq 0 iso 0 dist 9.67592 8.68586 5.3948 6.21578 9.97159 9.32552 numMergedOcc 0
35 mol 72 unq 0 iso 0 dist 9.96708 7.321 9.0131 11.6378 9.27838 13.1462 numMergedOcc 0
36 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 5.11416 9.24757 7.10439 numMergedOcc 0
37 mol 73 unq 1 iso 0 dist 6.19304 4.65521 7.41074 6.56633 9.24757 7.10439 numMergedOcc 0
38 mol 75 unq 0 iso 0 dist 7.79912 5.15851 10.0425 11.4997 9.81166 13.1026 numMergedOcc 0
39 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 9.29301 9.82915 10.0297 numMergedOcc 0
40 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 13.5116 9.82915 10.0297 numMergedOcc 0
41 mol 85 unq 2 iso 0 dist 6.19965 9.47876 11.6116 8.09967 7.54568 11.8261 numMergedOcc 0
42 mol 85 unq 3 iso 0 dist 7.66905 7.22293 11.6116 4.65335 7.54568 11.8261 numMergedOcc 0
43 mol 85 unq 4 iso 0 dist 5.73196 7.22293 6.47779 4.65335 9.39864 11.8261 numMergedOcc 0
44 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 9.50382 6.95572 5.39745 numMergedOcc 0
45 mol 92 unq 1 iso 0 dist 7.4729 5.81965 6.99832 12.7565 7.38677 10.8154 numMergedOcc 0
46 mol 92 unq 2 iso 0 dist 6.82344 9.70512 6.99832 7.56363 6.95572 5.39745 numMergedOcc 0
47 mol 92 unq 3 iso 0 dist 6.82344 9.70512 6.99832 5.91004 7.38677 10.8154 numMergedOcc 0
48 mol 100 unq 0 iso 0 dist 7.17106 6.58204 5.01145 10.6848 7.10378 11.9163 numMergedOcc 0
49 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 12.2861 8.30845 9.44658 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 7.47343 8.72704 10.1589 15.5385 8.76378 18.5425 numMergedOcc 0
51 mol 100 unq 3 iso 0 dist 7.47343 7.75343 15.209 11.2312 7.38135 18.081 numMergedOcc 0
52 mol 102 unq 0 iso 0 dist 7.36792 9.94856 5.498 7.42011 8.31932 13.2332 numMergedOcc 0
53 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 7.20179 6.52773 11.8717 numMergedOcc 0
54 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 9.89358 9.23858 15.8603 numMergedOcc 0
55 mol 119 unq 2 iso 0 dist 9.87172 9.38288 11.7228 10.9441 9.11344 17.5912 numMergedOcc 0
56 mol 119 unq 3 iso 0 dist 9.87172 6.19042 6.35763 10.9441 9.11344 11.1099 numMergedOcc 0
57 mol 119 unq 4 iso 0 dist 9.87172 7.44174 7.36192 10.9441 9.11344 11.8717 numMergedOcc 0
58 mol 119 unq 5 iso 0 dist 6.18601 9.80862 9.35964 10.4376 8.00003 16.6554 numMergedOcc 0
59 mol 119 unq 6 iso 0 dist 6.18601 8.43904 10.3457 10.4376 8.00003 16.109 numMergedOcc 0
60 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 6.0268 6.30546 7.36017 numMergedOcc 0
61 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 8.23791 9.90168 11.4282 numMergedOcc 0
62 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 13.7237 9.90168 11.4282 numMergedOcc 0
63 mol 131 unq 2 iso 0 dist 6.85062 9.51418 6.6499 13.7237 9.90168 16.3398 numMergedOcc 0
64 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 16.0138 9.22232 12.3267 numMergedOcc 0
65 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 5.92062 9.22661 6.51868 numMergedOcc 0
66 mol 133 unq 2 iso 0 dist 7.11802 7.92688 4.68409 6.61891 7.56378 7.34698 numMergedOcc 0
67 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 5.71679 7.69991 8.73604 numMergedOcc 0
68 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 4.57832 6.23142 8.73604 numMergedOcc 0
69 mol 134 unq 2 iso 0 dist 6.37586 5.42582 5.41704 5.29786 6.23142 8.73604 numMergedOcc 0
70 mol 134 unq 3 iso 0 dist 6.49416 8.6355 5.41704 5.71679 6.23142 8.73604 numMergedOcc 0
71 mol 134 unq 4 iso 0 dist 9.86662 8.79571 6.17103 4.57832 9.94764 8.73604 numMergedOcc 0
72 mol 134 unq 5 iso 0 dist 9.71307 5.42582 6.17103 5.29786 9.94764 8.73604 numMergedOcc 0
73 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 5.50031 7.92304 13.3276 numMergedOcc 0
74 mol 155 unq 1 iso 0 dist 6.43582 7.51198 6.34186 5.50031 7.92304 9.80845 numMergedOcc 0
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76 mol 156 unq 1 iso 0 dist 7.44554 6.27641 7.29758 11.9952 9.47433 13.7525 numMergedOcc 0
77 mol 156 unq 2 iso 0 dist 7.44554 9.36805 6.29785 5.71511 9.4013 10.735 numMergedOcc 0
78 mol 156 unq 3 iso 0 dist 8.94056 6.27641 8.67156 5.4555 7.90267 5.81122 numMergedOcc 0
79 mol 156 unq 4 iso 0 dist 9.83699 7.55203 6.29785 5.80008 9.4013 10.735 numMergedOcc 0
80 mol 175 unq 0 iso 0 dist 6.57069 9.8589 7.5414 8.29015 9.77896 5.4997 numMergedOcc 0
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82 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 6.6251 6.2479 7.13252 numMergedOcc 0
83 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 5.6044 9.72611 10.3766 numMergedOcc 0
84 mol 181 unq 3 iso 0 dist 5.98885 6.94688 5.86342 6.6251 7.99195 9.06217 numMergedOcc 0
85 mol 181 unq 4 iso 0 dist 5.98885 6.71012 9.14057 5.6044 9.72611 10.7723 numMergedOcc 0
86 mol 181 unq 5 iso 0 dist 5.98885 6.71012 9.14057 6.6251 7.99195 7.13252 numMergedOcc 0
87 mol 181 unq 6 iso 0 dist 5.98885 7.20046 5.4601 9.81073 8.90963 13.6646 numMergedOcc 0
88 mol 181 unq 7 iso 0 dist 5.98885 7.13543 10.0524 9.81073 8.90963 15.9219 numMergedOcc 0
89 mol 181 unq 8 iso 0 dist 9.15386 9.6668 8.25067 9.34211 8.90963 5.95304 numMergedOcc 0
90 mol 181 unq 9 iso 0 dist 7.81386 4.93785 6.7991 7.77758 5.94469 7.05653 numMergedOcc 0
91 mol 181 unq 10 iso 0 dist 7.81386 7.98142 9.53462 7.20191 9.39829 13.5221 numMergedOcc 0
92 mol 181 unq 11 iso 0 dist 7.81386 7.37327 11.1462 7.20191 9.39829 14.5372 numMergedOcc 0
93 mol 181 unq 12 iso 0 dist 7.63312 6.93764 4.80231 12.5387 5.94469 10.6207 numMergedOcc 0
94 mol 181 unq 13 iso 0 dist 7.63312 7.98142 9.60512 5.63555 5.9176 5.97685 numMergedOcc 0
95 mol 181 unq 14 iso 0 dist 7.63312 7.98142 9.60512 7.20191 6.41453 13.5221 numMergedOcc 0
96 mol 181 unq 15 iso 0 dist 7.63312 7.37327 13.3389 5.63555 5.9176 8.9289 numMergedOcc 0
97 mol 181 unq 16 iso 0 dist 7.63312 7.37327 13.3389 7.20191 6.41453 14.5372 numMergedOcc 0
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100 mol 205 unq 0 iso 0 dist 7.26832 9.19704 6.23291 10.3603 5.44002 10.5073 numMergedOcc 0
101 mol 209 unq 0 iso 0 dist 7.56373 9.52027 6.43758 6.552 6.85935 12.3767 numMergedOcc 0
102 mol 220 unq 0 iso 0 dist 9.23153 6.84247 6.7067 7.11498 6.59716 9.7334 numMergedOcc 0
103 mol 220 unq 1 iso 0 dist 9.23153 6.99002 15.9568 7.11498 6.59716 13.5801 numMergedOcc 0
104 mol 222 unq 0 iso 0 dist 7.54212 7.18956 7.61682 13.3447 9.07471 16.4961 numMergedOcc 0
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106 mol 227 unq 1 iso 0 dist 7.22101 8.17891 6.43754 10.9607 5.41321 7.57454 numMergedOcc 0
107 mol 227 unq 2 iso 0 dist 8.65997 9.62609 14.6185 10.204 7.43071 19.0662 numMergedOcc 0
108 mol 227 unq 3 iso 0 dist 8.65997 9.62609 14.6185 9.72615 5.41321 14.0608 numMergedOcc 0
109 mol 227 unq 4 iso 0 dist 8.65997 6.95902 6.43754 10.204 7.43071 12.2922 numMergedOcc 0
110 mol 227 unq 5 iso 0 dist 8.65997 6.95902 6.43754 9.72615 5.41321 7.57454 numMergedOcc 0
111 mol 227 unq 6 iso 0 dist 7.55216 8.83563 11.662 9.32448 7.43071 10.4957 numMergedOcc 0
112 mol 227 unq 7 iso 0 dist 7.55216 8.83563 11.662 6.48027 5.41321 13.792 numMergedOcc 0
113 mol 227 unq 8 iso 0 dist 7.09863 8.17891 9.13836 6.35849 6.02296 12.2922 numMergedOcc 0
114 mol 235 unq 0 iso 0 dist 5.4638 8.21247 4.65302 7.60081 9.55668 7.95766 numMergedOcc 0
115 mol 239 unq 0 iso 0 dist 7.00034 7.20082 7.04058 10.0842 9.01021 10.9156 numMergedOcc 0
116 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 8.81835 7.98231 8.71497 numMergedOcc 0
117 mol 259 unq 1 iso 0 dist 7.46176 7.48005 5.79468 8.81835 7.08526 8.71497 numMergedOcc 0
118 mol 264 unq 0 iso 0 dist 6.24356 9.0012 5.12409 7.52936 5.93616 5.91213 numMergedOcc 0
119 mol 264 unq 1 iso 0 dist 6.24356 9.5784 9.67998 7.52936 5.93616 7.34094 numMergedOcc 0
120 mol 274 unq 0 iso 0 dist 8.49997 7.97444 6.8406 11.4459 9.85289 14.7249 numMergedOcc 0
121 mol 282 unq 0 iso 0 dist 8.04483 6.85028 6.3384 5.65568 9.0975 11.0343 numMergedOcc 0
122 mol 282 unq 1 iso 0 dist 6.33524 7.32347 6.3384 5.0324 9.0975 11.0343 numMergedOcc 0
