0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 12.2041 7.88043 10.3148 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99972 7.25346 12.2041 5.72491 11.2662 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 numMergedOcc 0
7 mol 8 unq 5 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 numMergedOcc 0
8 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 numMergedOcc 0
9 mol 9 unq 1 iso 0 dist 7.9944 7.36018 5.83039 5.06358 7.032 8.17347 numMergedOcc 0
10 mol 9 unq 2 iso 0 dist 7.9944 8.48677 9.06304 5.06358 7.032 11.3467 numMergedOcc 0
11 mol 9 unq 3 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 numMergedOcc 0
12 mol 9 unq 4 iso 0 dist 7.032 8.17347 5.83039 5.06358 7.9944 7.36018 numMergedOcc 0
13 mol 9 unq 5 iso 0 dist 7.032 7.83133 9.193 5.06358 7.9944 10.2602 numMergedOcc 0
14 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.8007 7.48847 15.4288 numMergedOcc 0
15 mol 19 unq 1 iso 0 dist 6.92532 7.75618 13.9675 5.03957 6.36455 12.3215 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 numMergedOcc 0
17 mol 24 unq 1 iso 0 dist 4.93188 8.70827 9.75636 12.3067 9.24958 9.12854 numMergedOcc 0
18 mol 24 unq 2 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 numMergedOcc 0
19 mol 24 unq 3 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 numMergedOcc 0
20 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 10.6808 6.90155 7.92503 numMergedOcc 0
21 mol 25 unq 1 iso 0 dist 6.90155 6.16347 11.0508 10.6808 5.81959 16.0183 numMergedOcc 0
22 mol 25 unq 2 iso 0 dist 6.90155 7.92503 6.61233 10.6808 5.81959 8.6653 numMergedOcc 0
23 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 9.78225 5.69955 10.177 numMergedOcc 0
24 mol 60 unq 0 iso 0 dist 7.55695 9.90939 4.82351 7.29309 9.96399 10.5084 numMergedOcc 0
25 mol 60 unq 1 iso 0 dist 7.55695 9.90939 4.82351 5.00018 8.82176 11.6165 numMergedOcc 0
26 mol 65 unq 0 iso 0 dist 5.69971 7.90294 6.00418 9.20128 9.83239 13.1118 numMergedOcc 0
27 mol 65 unq 1 iso 0 dist 5.69971 7.90294 6.00418 10.2941 8.37515 8.22785 numMergedOcc 0
28 mol 65 unq 2 iso 0 dist 8.37515 6.76508 7.18126 10.2941 5.69971 11.5413 numMergedOcc 0
29 mol 65 unq 3 iso 0 dist 8.37515 6.76508 7.18126 8.06868 9.83239 13.2643 numMergedOcc 0
30 mol 65 unq 4 iso 0 dist 8.37515 8.22785 6.00418 10.2941 5.69971 7.90294 numMergedOcc 0
31 mol 65 unq 5 iso 0 dist 8.37515 8.22785 6.00418 8.06868 9.83239 13.1118 numMergedOcc 0
32 mol 73 unq 0 iso 0 dist 5.16364 6.02816 9.03289 8.07446 8.85586 12.4089 numMergedOcc 0
33 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 numMergedOcc 0
35 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 numMergedOcc 0
36 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 numMergedOcc 0
37 mol 98 unq 4 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 numMergedOcc 0
38 mol 98 unq 5 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 numMergedOcc 0
39 mol 98 unq 6 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 numMergedOcc 0
40 mol 98 unq 7 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 numMergedOcc 0
41 mol 98 unq 8 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 numMergedOcc 0
42 mol 98 unq 9 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 numMergedOcc 0
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44 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.85907 8.56342 6.52773 numMergedOcc 0
45 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 4.85907 7.99857 9.11344 numMergedOcc 0
46 mol 119 unq 2 iso 0 dist 8.56342 9.23858 13.3975 4.85907 7.99857 12.7677 numMergedOcc 0
47 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 13.2572 9.15431 15.7676 numMergedOcc 0
48 mol 131 unq 1 iso 0 dist 9.29384 8.70296 10.8127 6.63273 6.92648 12.6227 numMergedOcc 0
49 mol 131 unq 2 iso 0 dist 9.29384 9.25558 11.2516 13.2572 9.15431 18.3571 numMergedOcc 0
50 mol 131 unq 3 iso 0 dist 9.29384 9.25558 11.2516 6.63273 6.92648 11.586 numMergedOcc 0
51 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 numMergedOcc 0
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53 mol 148 unq 1 iso 0 dist 9.74542 9.91993 7.23332 8.72919 7.97543 12.1227 numMergedOcc 0
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55 mol 148 unq 3 iso 0 dist 9.74542 6.22055 7.89336 8.72919 7.97543 11.2961 numMergedOcc 0
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57 mol 150 unq 1 iso 0 dist 9.6606 9.96691 7.35366 6.98865 8.94552 13.6809 numMergedOcc 0
58 mol 150 unq 2 iso 0 dist 9.6606 6.14675 7.86976 8.77324 7.85526 11.2313 numMergedOcc 0
59 mol 150 unq 3 iso 0 dist 9.6606 6.14675 7.86976 6.98865 8.94552 10.9703 numMergedOcc 0
60 mol 150 unq 4 iso 0 dist 9.6606 9.24244 11.8012 8.77324 7.85526 15.2191 numMergedOcc 0
61 mol 150 unq 5 iso 0 dist 9.6606 9.24244 11.8012 6.98865 8.94552 14.9682 numMergedOcc 0
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63 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 numMergedOcc 0
64 mol 171 unq 2 iso 0 dist 7.71426 8.1344 5.90358 7.31409 5.10618 6.71356 numMergedOcc 0
65 mol 171 unq 3 iso 0 dist 7.71426 8.1344 5.90358 13.6814 9.86681 15.2816 numMergedOcc 0
66 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 numMergedOcc 0
67 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 numMergedOcc 0
68 mol 171 unq 6 iso 0 dist 5.10618 6.71356 5.90358 7.31409 7.71426 8.1344 numMergedOcc 0
69 mol 171 unq 7 iso 0 dist 5.10618 6.71356 5.90358 13.7214 9.86681 15.2816 numMergedOcc 0
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73 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 numMergedOcc 0
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75 mol 194 unq 3 iso 0 dist 8.83356 8.29382 12.361 14.6506 6.26839 16.3687 numMergedOcc 0
76 mol 194 unq 4 iso 0 dist 8.83356 8.29382 12.361 13.5632 8.12346 18.4977 numMergedOcc 0
77 mol 194 unq 5 iso 0 dist 8.83356 8.29382 12.361 11.6097 8.2654 14.3769 numMergedOcc 0
78 mol 194 unq 6 iso 0 dist 8.83356 6.72379 7.50057 14.6506 6.26839 12.4952 numMergedOcc 0
79 mol 194 unq 7 iso 0 dist 8.83356 6.72379 7.50057 13.5632 8.12346 15.1649 numMergedOcc 0
80 mol 194 unq 8 iso 0 dist 8.83356 6.72379 7.50057 11.6097 8.2654 13.2138 numMergedOcc 0
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87 mol 212 unq 1 iso 0 dist 6.29767 8.69988 12.8059 4.12932 8.57827 11.8495 numMergedOcc 0
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89 mol 212 unq 3 iso 0 dist 6.29767 7.15603 9.63281 4.12932 8.57827 10.7294 numMergedOcc 0
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96 mol 238 unq 2 iso 0 dist 6.66971 8.69104 10.2777 5.40359 6.4398 13.492 numMergedOcc 0
97 mol 238 unq 3 iso 0 dist 6.66971 8.69104 10.2777 10.0191 7.32982 12.9364 numMergedOcc 0
98 mol 238 unq 4 iso 0 dist 7.32982 9.24557 4.77308 10.0191 6.66971 7.57812 numMergedOcc 0
99 mol 238 unq 5 iso 0 dist 7.32982 9.24557 4.77308 10.1648 6.4398 10.1217 numMergedOcc 0
100 mol 240 unq 0 iso 0 dist 9.47583 6.68687 15.5587 4.28414 8.44909 10.5594 numMergedOcc 0
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102 mol 258 unq 1 iso 0 dist 9.1925 9.63959 4.22544 4.26007 8.15467 10.3917 numMergedOcc 0
103 mol 258 unq 2 iso 0 dist 6.70815 7.21311 8.10604 7.26417 7.99477 11.2102 numMergedOcc 0
104 mol 259 unq 0 iso 0 dist 8.55558 7.08526 6.31909 9.98105 8.59697 10.4552 numMergedOcc 0
105 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 5.74345 9.12395 11.3027 numMergedOcc 0
106 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 6.67478 8.29305 13.6219 numMergedOcc 0
