0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99972 12.0193 7.25346 5.99459 6.88805 8.0744 6.12483 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99972 12.0193 10.0658 5.99459 6.88805 11.7002 6.12483 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 8.72114 13.8829 10.1959 9.67164 13.156 8.0744 5.5683 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 9.41441 6.66749 11.9395 7.95042 5.69214 4.47891 10.0453 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 8.09311 11.6226 9.94429 15.4445 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 9.05357 13.1949 6.88355 11.8971 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.86116 6.72502 6.58998 8.44664 10.971 7.6844 8.09311 11.6226 9.94429 3.84336 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 8.86116 6.72502 6.58998 8.44664 10.971 7.6844 9.05357 13.1949 6.88355 7.01276 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 8.86116 6.72502 6.58998 9.44691 13.4893 7.05541 8.09311 11.6226 9.94429 13.0295 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 8.86116 6.72502 6.58998 9.44691 13.4893 7.05541 9.05357 13.1949 6.88355 4.02219 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 7.95042 5.11636 4.47891 10.0453 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 8.38394 6.72502 6.59374 8.60554 12.3994 6.99746 8.09311 6.17155 9.94429 15.4445 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 8.38394 6.72502 6.59374 8.60554 12.3994 6.99746 9.05357 10.3122 6.88355 11.8971 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 8.38394 6.72502 6.59374 8.44664 5.30734 7.6844 8.09311 6.17155 9.94429 3.84336 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 8.38394 6.72502 6.59374 8.44664 5.30734 7.6844 9.05357 10.3122 6.88355 7.01276 numMergedOcc 0
15 mol 24 unq 12 iso 0 dist 8.38394 6.72502 6.59374 9.44691 12.505 7.05541 8.09311 6.17155 9.94429 13.0295 numMergedOcc 0
16 mol 24 unq 13 iso 0 dist 8.38394 6.72502 6.59374 9.44691 12.505 7.05541 9.05357 10.3122 6.88355 4.02219 numMergedOcc 0
17 mol 24 unq 14 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 6.6219 4.82629 8.32592 4.04519 numMergedOcc 0
18 mol 24 unq 15 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 5.68215 10.1698 8.10397 13.7009 numMergedOcc 0
19 mol 24 unq 16 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 6.6219 4.82629 8.32592 12.5545 numMergedOcc 0
20 mol 24 unq 17 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 5.68215 10.1698 8.10397 4.08755 numMergedOcc 0
21 mol 24 unq 18 iso 0 dist 7.36323 9.24958 4.33963 9.12854 5.59311 9.75636 8.87744 6.28159 7.55689 9.86385 numMergedOcc 0
22 mol 24 unq 19 iso 0 dist 7.36323 9.24958 4.33963 9.12854 5.59311 9.75636 7.27472 5.50396 5.11135 10.4353 numMergedOcc 0
23 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 6.55597 4.69295 8.89681 4.98822 numMergedOcc 0
24 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 7.52933 5.03027 7.41888 11.0227 numMergedOcc 0
25 mol 25 unq 2 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 9.71956 12.2542 6.97709 10.3547 numMergedOcc 0
26 mol 25 unq 3 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 7.07751 8.79309 5.5511 7.91914 numMergedOcc 0
27 mol 25 unq 4 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 8.23761 8.17061 4.38027 11.7069 numMergedOcc 0
28 mol 25 unq 5 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 9.49421 13.6145 11.7199 9.62058 numMergedOcc 0
29 mol 25 unq 6 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 6.55597 4.69295 8.89681 13.4321 numMergedOcc 0
30 mol 25 unq 7 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 9.71956 12.2542 6.97709 8.84447 numMergedOcc 0
31 mol 25 unq 8 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 7.07751 8.79309 5.5511 9.66912 numMergedOcc 0
32 mol 25 unq 9 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 8.23761 8.17061 4.38027 13.1117 numMergedOcc 0
33 mol 25 unq 10 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 7.52933 5.03027 7.41888 15.1255 numMergedOcc 0
34 mol 25 unq 11 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 9.49421 13.6145 11.7199 5.38592 numMergedOcc 0
35 mol 25 unq 12 iso 0 dist 7.57578 6.90155 9.36158 6.16347 9.34396 11.0508 4.79873 10.2864 6.86525 5.46578 numMergedOcc 0
36 mol 25 unq 13 iso 0 dist 7.57578 6.90155 9.36158 6.16347 9.34396 11.0508 9.48085 5.18617 13.7717 9.62058 numMergedOcc 0
37 mol 25 unq 14 iso 0 dist 7.57578 6.90155 9.36158 7.92503 6.11127 6.61233 4.79873 10.2864 6.86525 11.0175 numMergedOcc 0
38 mol 25 unq 15 iso 0 dist 7.57578 6.90155 9.36158 7.92503 6.11127 6.61233 9.48085 5.18617 13.7717 10.2758 numMergedOcc 0
39 mol 25 unq 16 iso 0 dist 7.17969 6.90155 10.1525 6.16347 10.8498 11.0508 4.79873 11.4148 6.86525 5.46578 numMergedOcc 0
40 mol 25 unq 17 iso 0 dist 7.17969 6.90155 10.1525 6.16347 10.8498 11.0508 9.48085 5.68041 13.7717 9.62058 numMergedOcc 0
41 mol 25 unq 18 iso 0 dist 7.17969 6.90155 10.1525 7.92503 5.30154 6.61233 4.79873 11.4148 6.86525 11.0175 numMergedOcc 0
42 mol 25 unq 19 iso 0 dist 7.17969 6.90155 10.1525 7.92503 5.30154 6.61233 9.48085 5.68041 13.7717 10.2758 numMergedOcc 0
43 mol 25 unq 20 iso 0 dist 7.31767 5.81959 7.63409 8.6653 5.64303 6.61233 7.6114 6.10919 11.4877 10.8122 numMergedOcc 0
44 mol 25 unq 21 iso 0 dist 6.03987 5.81959 8.4666 8.6653 5.82503 6.61233 7.6114 5.86705 11.4877 10.8122 numMergedOcc 0
45 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 7.16773 6.63327 8.25666 9.03564 6.75591 10.5332 9.76482 numMergedOcc 0
46 mol 59 unq 0 iso 0 dist 7.17396 8.64015 11.0904 8.08618 6.90592 5.9995 6.56212 7.31539 4.88345 5.56986 numMergedOcc 0
47 mol 59 unq 1 iso 0 dist 9.21998 8.64015 12.9211 8.08618 7.6021 5.9995 6.56212 11.1607 4.88345 5.56986 numMergedOcc 0
48 mol 60 unq 0 iso 0 dist 8.7531 7.55695 9.62257 9.90939 7.04075 4.82351 8.4312 8.62476 5.71764 5.85676 numMergedOcc 0
49 mol 85 unq 0 iso 0 dist 7.95579 7.33422 6.82174 7.54568 10.2865 6.85215 7.7068 6.36397 6.33204 4.93735 numMergedOcc 0
50 mol 85 unq 1 iso 0 dist 6.19965 7.33422 7.91778 7.54568 8.09967 6.85215 7.7068 4.41789 6.33204 4.93735 numMergedOcc 0
51 mol 85 unq 2 iso 0 dist 7.66905 7.33422 10.121 7.54568 4.65335 6.85215 7.7068 5.59906 6.33204 4.93735 numMergedOcc 0
52 mol 100 unq 0 iso 0 dist 6.45675 9.00544 11.8512 7.38135 7.11701 5.46256 7.82475 5.43561 11.3766 7.55779 numMergedOcc 0
53 mol 100 unq 1 iso 0 dist 6.45675 9.00544 11.8512 7.38135 7.11701 5.46256 5.35782 6.30222 10.5056 8.00947 numMergedOcc 0
54 mol 100 unq 2 iso 0 dist 6.45675 7.12017 9.52882 7.38135 7.11701 9.38256 7.82475 5.43561 13.4027 7.55779 numMergedOcc 0
55 mol 100 unq 3 iso 0 dist 6.45675 7.12017 9.52882 7.38135 7.11701 9.38256 5.35782 6.30222 12.068 8.00947 numMergedOcc 0
56 mol 100 unq 4 iso 0 dist 7.47343 9.00544 14.9392 7.38135 11.2312 5.46256 7.82475 5.9143 11.3766 7.55779 numMergedOcc 0
57 mol 100 unq 5 iso 0 dist 7.47343 9.00544 14.9392 7.38135 11.2312 5.46256 5.35782 5.47563 10.5056 8.00947 numMergedOcc 0
58 mol 100 unq 6 iso 0 dist 7.47343 7.12017 12.6602 7.38135 11.2312 9.38256 7.82475 5.9143 13.4027 7.55779 numMergedOcc 0
59 mol 100 unq 7 iso 0 dist 7.47343 7.12017 12.6602 7.38135 11.2312 9.38256 5.35782 5.47563 12.068 8.00947 numMergedOcc 0
60 mol 100 unq 8 iso 0 dist 8.86688 9.00544 9.01214 7.38135 7.79768 5.46256 7.82475 5.25234 11.3766 7.55779 numMergedOcc 0
61 mol 100 unq 9 iso 0 dist 8.86688 9.00544 9.01214 7.38135 7.79768 5.46256 5.35782 5.03232 10.5056 8.00947 numMergedOcc 0
62 mol 100 unq 10 iso 0 dist 8.86688 7.12017 14.8674 7.38135 7.79768 9.38256 7.82475 5.25234 13.4027 7.55779 numMergedOcc 0
63 mol 100 unq 11 iso 0 dist 8.86688 7.12017 14.8674 7.38135 7.79768 9.38256 5.35782 5.03232 12.068 8.00947 numMergedOcc 0
64 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 7.80523 7.74599 10.8469 7.07971 4.69373 6.8409 5.92927 numMergedOcc 0
65 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 6.52773 7.20179 6.96805 7.64052 9.68677 6.29394 5.37917 numMergedOcc 0
66 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 9.23858 9.89358 13.3975 7.64052 9.68677 6.29394 15.7711 numMergedOcc 0
67 mol 119 unq 2 iso 0 dist 8.73993 6.37542 6.08167 6.52773 7.20179 4.86811 7.64052 9.68677 9.64502 5.37917 numMergedOcc 0
68 mol 119 unq 3 iso 0 dist 8.73993 6.37542 6.08167 9.23858 9.89358 8.00229 7.64052 9.68677 9.64502 15.7711 numMergedOcc 0
69 mol 119 unq 4 iso 0 dist 9.87172 7.99857 7.61939 9.11344 10.9441 6.96805 6.99446 6.20019 6.29394 5.37917 numMergedOcc 0
70 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 9.36851 10.7293 6.84211 5.58833 9.00231 7.06894 9.30433 numMergedOcc 0
71 mol 129 unq 1 iso 0 dist 5.83384 8.03372 6.67948 4.97175 7.29399 4.53459 5.58833 9.00231 7.06894 4.28744 numMergedOcc 0
72 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.78652 6.48978 15.0801 7.36975 13.1926 9.05786 12.207 numMergedOcc 0
73 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 7.78652 6.48978 15.0801 5.40637 7.39837 6.16103 10.0079 numMergedOcc 0
74 mol 143 unq 2 iso 0 dist 5.99315 8.41611 12.7056 8.91301 5.20762 15.0315 7.36975 13.1926 9.05786 14.7271 numMergedOcc 0
75 mol 143 unq 3 iso 0 dist 5.99315 8.41611 12.7056 8.91301 5.20762 15.0315 5.40637 7.39837 6.16103 9.05366 numMergedOcc 0
76 mol 143 unq 4 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 7.36975 13.1926 3.75378 12.207 numMergedOcc 0
77 mol 143 unq 5 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 5.40637 7.39837 8.4697 10.0079 numMergedOcc 0
78 mol 143 unq 6 iso 0 dist 5.99315 7.63338 12.8872 8.91301 5.20762 13.434 7.36975 13.1926 3.75378 14.7271 numMergedOcc 0
79 mol 143 unq 7 iso 0 dist 5.99315 7.63338 12.8872 8.91301 5.20762 13.434 5.40637 7.39837 8.4697 9.05366 numMergedOcc 0
80 mol 143 unq 8 iso 0 dist 5.99315 9.03707 7.76364 7.78652 6.48978 8.97873 7.36975 13.1926 14.0356 12.207 numMergedOcc 0
81 mol 143 unq 9 iso 0 dist 5.99315 9.03707 7.76364 7.78652 6.48978 8.97873 5.40637 7.39837 5.41614 10.0079 numMergedOcc 0
82 mol 143 unq 10 iso 0 dist 5.99315 9.03707 7.76364 8.91301 5.20762 6.29542 7.36975 13.1926 14.0356 14.7271 numMergedOcc 0
83 mol 143 unq 11 iso 0 dist 5.99315 9.03707 7.76364 8.91301 5.20762 6.29542 5.40637 7.39837 5.41614 9.05366 numMergedOcc 0
84 mol 143 unq 12 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 7.36975 13.1926 9.30534 12.207 numMergedOcc 0
85 mol 143 unq 13 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 5.40637 7.39837 6.78032 10.0079 numMergedOcc 0
86 mol 143 unq 14 iso 0 dist 5.99315 7.25673 9.23795 8.91301 5.20762 7.54337 7.36975 13.1926 9.30534 14.7271 numMergedOcc 0
87 mol 143 unq 15 iso 0 dist 5.99315 7.25673 9.23795 8.91301 5.20762 7.54337 5.40637 7.39837 6.78032 9.05366 numMergedOcc 0
88 mol 175 unq 0 iso 0 dist 9.29945 5.4969 12.3408 9.39352 7.27408 8.94702 9.63417 11.0361 9.37652 6.43397 numMergedOcc 0
89 mol 175 unq 1 iso 0 dist 9.29945 6.4318 8.68081 9.39352 7.27408 4.06277 9.63417 11.0361 4.52999 6.43397 numMergedOcc 0
90 mol 175 unq 2 iso 0 dist 9.29945 7.35824 12.5754 9.39352 7.27408 10.3786 9.63417 11.0361 5.68406 6.43397 numMergedOcc 0
91 mol 175 unq 3 iso 0 dist 9.29945 9.17364 10.0424 9.39352 7.27408 11.9672 9.63417 11.0361 9.31641 6.43397 numMergedOcc 0
92 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 8.73217 11.7429 11.8992 6.61112 11.0961 8.58039 4.03697 numMergedOcc 0
93 mol 204 unq 0 iso 0 dist 7.10633 6.85441 8.17229 9.68728 7.67571 5.42649 7.9133 10.7169 9.54203 14.0756 numMergedOcc 0
94 mol 204 unq 1 iso 0 dist 8.51516 6.85441 5.74707 9.68728 10.8573 5.42649 7.9133 5.57347 9.54203 14.0756 numMergedOcc 0
95 mol 222 unq 0 iso 0 dist 6.00706 8.48341 6.03524 9.07471 7.75466 7.92402 6.74196 8.84507 9.0716 4.67663 numMergedOcc 0
96 mol 222 unq 1 iso 0 dist 6.00706 8.48341 6.03524 9.07471 7.75466 7.92402 8.36842 6.02502 10.5383 6.37382 numMergedOcc 0
97 mol 222 unq 2 iso 0 dist 6.00706 8.48341 6.03524 9.07471 7.75466 7.92402 9.75472 5.18677 8.90753 6.31322 numMergedOcc 0
98 mol 222 unq 3 iso 0 dist 7.54212 8.48341 7.60395 9.07471 13.3447 7.92402 6.74196 12.8595 9.0716 4.67663 numMergedOcc 0
99 mol 222 unq 4 iso 0 dist 7.54212 8.48341 7.60395 9.07471 13.3447 7.92402 8.36842 12.5866 10.5383 6.37382 numMergedOcc 0
100 mol 222 unq 5 iso 0 dist 7.54212 8.48341 7.60395 9.07471 13.3447 7.92402 9.75472 11.9567 8.90753 6.31322 numMergedOcc 0
101 mol 223 unq 0 iso 0 dist 8.77153 6.13306 6.52273 7.48463 11.8654 6.80048 6.42257 4.04036 4.40141 10.5752 numMergedOcc 0
102 mol 223 unq 1 iso 0 dist 8.77153 6.13306 6.52273 7.48463 11.8654 6.80048 9.33543 13.1538 9.63911 3.86668 numMergedOcc 0
103 mol 223 unq 2 iso 0 dist 8.6166 6.13306 7.12885 7.48463 6.05524 6.80048 6.42257 9.47076 4.40141 10.5752 numMergedOcc 0
104 mol 223 unq 3 iso 0 dist 8.6166 6.13306 7.12885 7.48463 6.05524 6.80048 9.33543 5.39728 9.63911 3.86668 numMergedOcc 0
105 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 9.05071 8.80479 13.8622 6.71524 5.10213 8.03712 11.2243 numMergedOcc 0
106 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 9.24557 14.7883 4.77308 9.72188 7.06793 13.0611 17.1065 numMergedOcc 0
107 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 5.85442 10.067 7.32929 4.47425 numMergedOcc 0
108 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 6.95511 11.6988 9.55426 4.10176 numMergedOcc 0
