0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 10.789 9.55056 14.144 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.72491 9.67164 8.0744 10.515 7.45262 8.81608 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.88043 5.99459 8.0744 12.2708 9.55056 14.144 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.88043 5.99459 8.0744 6.06176 7.45262 8.81608 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 8.80762 5.99459 11.7002 12.2708 7.57354 14.144 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 8.80762 5.99459 11.7002 6.06176 6.96586 8.81608 numMergedOcc 0
6 mol 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 13.7792 8.94096 17.0548 numMergedOcc 0
7 mol 8 unq 1 iso 0 dist 6.82379 6.56356 8.64248 15.4959 9.07858 15.5373 numMergedOcc 0
8 mol 9 unq 0 iso 0 dist 7.05346 8.30653 4.3947 13.5628 9.82483 13.9961 numMergedOcc 0
9 mol 13 unq 0 iso 0 dist 8.43325 9.45635 9.75022 8.66829 8.00865 10.3157 numMergedOcc 0
10 mol 13 unq 1 iso 0 dist 8.43325 9.45635 9.75022 14.2112 9.11447 17.3812 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 5.39241 8.62284 11.8884 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 6.6492 7.52933 7.41888 4.70708 8.5404 11.598 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 6.6492 6.55597 8.89681 4.70708 8.5404 11.1095 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 6.6492 9.71956 6.97709 4.70708 8.5404 11.6083 numMergedOcc 0
15 mol 25 unq 3 iso 0 dist 6.6492 7.07751 5.5511 4.70708 8.5404 10.1706 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 6.6492 8.23761 4.38027 4.70708 8.5404 11.6932 numMergedOcc 0
17 mol 25 unq 5 iso 0 dist 6.6492 9.49421 11.7199 4.70708 8.5404 8.53931 numMergedOcc 0
18 mol 56 unq 0 iso 0 dist 8.63486 9.2898 15.8558 11.2318 8.98797 13.5478 numMergedOcc 0
19 mol 56 unq 1 iso 0 dist 6.77886 9.03564 10.5332 10.9467 5.86571 16.2662 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 8.65802 9.33861 10.2518 12.3813 9.20197 18.6152 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 5.72642 7.69765 7.27912 11.7126 9.9928 16.7897 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 5.72642 9.42082 10.5109 11.7126 9.9928 12.9982 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 6.35763 9.87025 6.13374 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 8.56342 7.64052 6.29394 10.0197 9.87025 6.13374 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 numMergedOcc 0
27 mol 130 unq 0 iso 0 dist 8.33077 6.93139 6.76477 8.84655 6.42785 10.1252 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 8.41611 7.36975 9.05786 5.44503 6.40901 8.18023 numMergedOcc 0
29 mol 143 unq 1 iso 0 dist 8.41611 5.40637 6.16103 5.44503 6.40901 7.46803 numMergedOcc 0
30 mol 143 unq 2 iso 0 dist 7.63338 7.36975 3.75378 6.01455 8.1582 7.05845 numMergedOcc 0
31 mol 143 unq 3 iso 0 dist 7.63338 7.36975 3.75378 5.44503 9.40626 8.18023 numMergedOcc 0
32 mol 143 unq 4 iso 0 dist 7.63338 5.40637 8.4697 6.01455 8.1582 10.55 numMergedOcc 0
33 mol 143 unq 5 iso 0 dist 7.63338 5.40637 8.4697 5.44503 9.40626 7.46803 numMergedOcc 0
34 mol 143 unq 6 iso 0 dist 7.25673 7.36975 9.30534 6.01455 7.88655 7.05845 numMergedOcc 0
35 mol 143 unq 7 iso 0 dist 7.25673 5.40637 6.78032 6.01455 7.88655 10.55 numMergedOcc 0
36 mol 154 unq 0 iso 0 dist 7.72144 8.33439 14.4682 13.9336 9.47362 17.5983 numMergedOcc 0
37 mol 154 unq 1 iso 0 dist 7.72144 8.33439 14.4682 6.53652 6.28417 14.6576 numMergedOcc 0
38 mol 159 unq 0 iso 0 dist 7.25742 9.36259 5.34453 4.57561 7.13269 10.7736 numMergedOcc 0
39 mol 175 unq 0 iso 0 dist 7.35824 9.63417 5.68406 11.1651 7.01126 11.9429 numMergedOcc 0
40 mol 175 unq 1 iso 0 dist 9.17364 9.63417 9.31641 11.1651 6.58434 11.9429 numMergedOcc 0
41 mol 178 unq 0 iso 0 dist 4.92088 9.11204 7.79894 5.25267 5.98771 11.7594 numMergedOcc 0
42 mol 184 unq 0 iso 0 dist 8.77887 9.90822 6.88536 6.47974 6.21206 10.9394 numMergedOcc 0
43 mol 184 unq 1 iso 0 dist 8.77887 6.73504 6.19242 6.47974 6.21206 7.59939 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 6.72641 7.05695 8.1007 10.5203 9.59034 12.8056 numMergedOcc 0
45 mol 186 unq 1 iso 0 dist 9.83476 7.2793 6.38897 13.1933 7.94153 11.0523 numMergedOcc 0
46 mol 186 unq 2 iso 0 dist 9.83476 9.51091 8.93258 13.1933 7.94153 14.1797 numMergedOcc 0
47 mol 186 unq 3 iso 0 dist 9.83476 7.85184 11.924 13.1933 7.94153 17.0388 numMergedOcc 0
48 mol 195 unq 0 iso 0 dist 6.60567 7.41662 9.48862 13.6975 9.79691 18.9952 numMergedOcc 0
49 mol 195 unq 1 iso 0 dist 7.62942 9.03441 8.89297 6.08211 9.79691 12.3988 numMergedOcc 0
50 mol 210 unq 0 iso 0 dist 7.63018 8.63693 6.75621 10.9823 6.4829 11.516 numMergedOcc 0
51 mol 214 unq 0 iso 0 dist 6.38157 7.46481 5.73082 6.67959 5.10114 8.70987 numMergedOcc 0
52 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 6.05563 6.86795 11.2108 numMergedOcc 0
53 mol 218 unq 1 iso 0 dist 6.29367 8.75536 6.57708 8.36122 6.61099 12.5343 numMergedOcc 0
54 mol 218 unq 2 iso 0 dist 8.06216 7.33709 7.4492 7.47048 9.67381 12.5343 numMergedOcc 0
55 mol 218 unq 3 iso 0 dist 5.76954 7.33709 6.57708 9.68444 6.86795 11.2108 numMergedOcc 0
56 mol 218 unq 4 iso 0 dist 5.76954 7.33709 6.57708 7.47048 6.61099 12.5343 numMergedOcc 0
57 mol 218 unq 5 iso 0 dist 9.20961 6.67404 6.57708 11.4148 6.86795 11.2108 numMergedOcc 0
58 mol 218 unq 6 iso 0 dist 9.20961 6.67404 6.57708 12.7963 6.61099 12.5343 numMergedOcc 0
59 mol 225 unq 0 iso 0 dist 9.18895 9.7982 6.47351 9.60485 7.95883 10.1761 numMergedOcc 0
60 mol 225 unq 1 iso 0 dist 6.6561 6.50998 6.35462 8.69249 5.13453 8.91356 numMergedOcc 0
61 mol 225 unq 2 iso 0 dist 6.6561 9.09424 5.94765 8.69249 5.13453 11.0655 numMergedOcc 0
62 mol 225 unq 3 iso 0 dist 6.6561 8.14831 11.2847 8.69249 5.13453 13.9144 numMergedOcc 0
63 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 9.60993 9.20589 12.2075 numMergedOcc 0
64 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 13.3557 7.89801 11.5426 numMergedOcc 0
65 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 5.34702 9.20589 12.2075 numMergedOcc 0
66 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 8.8709 7.89801 11.5426 numMergedOcc 0
67 mol 238 unq 0 iso 0 dist 6.4398 8.82351 6.22195 15.3074 9.42618 13.8196 numMergedOcc 0
68 mol 238 unq 1 iso 0 dist 7.32982 9.72188 13.0611 8.85181 9.42618 18.3572 numMergedOcc 0
69 mol 238 unq 2 iso 0 dist 5.52379 9.07475 6.50998 11.6239 7.61203 11.316 numMergedOcc 0
70 mol 238 unq 3 iso 0 dist 5.52379 9.07475 6.50998 13.9614 9.47845 14.1582 numMergedOcc 0
71 mol 238 unq 4 iso 0 dist 5.52379 9.07475 6.50998 12.3042 6.92409 10.2916 numMergedOcc 0
72 mol 238 unq 5 iso 0 dist 5.52379 9.07475 6.50998 5.54325 6.89694 8.82776 numMergedOcc 0
73 mol 238 unq 6 iso 0 dist 5.52379 6.99888 5.63944 11.6239 7.61203 9.99105 numMergedOcc 0
74 mol 238 unq 7 iso 0 dist 5.52379 6.99888 5.63944 13.9614 9.47845 13.7042 numMergedOcc 0
75 mol 238 unq 8 iso 0 dist 5.52379 6.99888 5.63944 12.3042 6.92409 10.8123 numMergedOcc 0
76 mol 238 unq 9 iso 0 dist 5.52379 6.99888 5.63944 5.54325 6.89694 5.43613 numMergedOcc 0
77 mol 238 unq 10 iso 0 dist 5.64181 9.08509 6.94907 10.4664 8.6597 14.4363 numMergedOcc 0
78 mol 238 unq 11 iso 0 dist 5.64181 9.08509 6.94907 11.2717 7.47235 10.529 numMergedOcc 0
79 mol 238 unq 12 iso 0 dist 5.64181 9.08509 6.94907 5.17471 6.44735 5.43613 numMergedOcc 0
80 mol 238 unq 13 iso 0 dist 5.64181 9.08509 6.94907 5.03393 5.91208 7.06768 numMergedOcc 0
81 mol 238 unq 14 iso 0 dist 7.61393 9.06592 9.9447 13.3539 8.6597 12.841 numMergedOcc 0
82 mol 238 unq 15 iso 0 dist 7.61393 9.06592 9.9447 14.7509 7.47235 14.0279 numMergedOcc 0
83 mol 238 unq 16 iso 0 dist 7.61393 9.06592 9.9447 10.7999 6.44735 16.1497 numMergedOcc 0
84 mol 238 unq 17 iso 0 dist 7.61393 9.06592 9.9447 5.49433 5.91208 12.3001 numMergedOcc 0
85 mol 248 unq 0 iso 0 dist 6.17052 9.05018 7.14182 6.48757 8.53148 5.0345 numMergedOcc 0
86 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 5.79468 6.39918 6.23661 numMergedOcc 0
87 mol 259 unq 1 iso 0 dist 8.55558 6.95511 9.55426 5.79468 6.39918 9.43105 numMergedOcc 0
88 mol 259 unq 2 iso 0 dist 8.59697 8.03219 4.67584 5.31048 6.39918 8.84648 numMergedOcc 0
89 mol 259 unq 3 iso 0 dist 8.59697 6.9899 7.32929 5.31048 6.39918 6.23661 numMergedOcc 0
90 mol 264 unq 0 iso 0 dist 6.04162 9.19754 5.82131 8.16326 9.42738 13.8261 numMergedOcc 0
91 mol 264 unq 1 iso 0 dist 6.14323 8.29262 5.82131 12.3807 9.42738 13.8261 numMergedOcc 0
92 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 9.92201 7.25677 15.7984 numMergedOcc 0
