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2 mol 7 unq 1 iso 0 dist 7.10621 5.72491 5.44992 12.2041 12.2333 7.88043 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.4076 10.9634 6.82379 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 9.22548 12.9396 6.24978 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 8.96553 7.3915 7.43529 7.96511 14.7769 9.66439 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 7.63133 6.56335 10.454 5.5251 13.084 7.2668 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 5.46498 6.56335 6.70071 5.5251 9.80614 7.2668 numMergedOcc 0
8 mol 16 unq 2 iso 0 dist 8.71745 6.56335 4.50891 5.5251 10.2909 7.2668 numMergedOcc 0
9 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 10.8007 15.679 7.48847 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 7.20519 6.92532 12.3486 5.03957 12.1187 6.36455 numMergedOcc 0
11 mol 19 unq 2 iso 0 dist 4.54938 6.92532 5.18512 10.8007 9.78944 7.48847 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 4.54938 6.92532 5.18512 5.03957 7.82074 6.36455 numMergedOcc 0
13 mol 19 unq 4 iso 0 dist 7.82074 6.36455 5.18512 10.6598 9.78944 7.48847 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 numMergedOcc 0
15 mol 19 unq 6 iso 0 dist 6.864 6.92532 9.47529 10.8007 9.56313 7.48847 numMergedOcc 0
16 mol 19 unq 7 iso 0 dist 6.864 6.92532 9.47529 5.03957 11.0366 6.36455 numMergedOcc 0
17 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.05502 11.573 7.83786 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 7.05502 10.5273 7.83786 numMergedOcc 0
19 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 numMergedOcc 0
20 mol 24 unq 3 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 numMergedOcc 0
21 mol 25 unq 0 iso 0 dist 7.57578 6.90155 9.36158 10.6808 13.7311 5.81959 numMergedOcc 0
22 mol 25 unq 1 iso 0 dist 7.17969 6.90155 10.1525 10.6808 12.9968 5.81959 numMergedOcc 0
23 mol 25 unq 2 iso 0 dist 7.31767 5.81959 7.63409 10.6808 12.4135 6.90155 numMergedOcc 0
24 mol 25 unq 3 iso 0 dist 6.03987 5.81959 8.4666 10.6808 11.6743 6.90155 numMergedOcc 0
25 mol 26 unq 0 iso 0 dist 8.34347 5.69955 10.6756 9.78225 17.7357 8.6385 numMergedOcc 0
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27 mol 43 unq 1 iso 0 dist 8.80331 9.93832 9.06158 8.13395 6.20293 8.60739 numMergedOcc 0
28 mol 43 unq 2 iso 0 dist 6.20293 8.60739 9.06158 8.13395 8.80331 9.93832 numMergedOcc 0
29 mol 43 unq 3 iso 0 dist 8.93915 8.60739 11.3891 8.13395 14.7803 9.93832 numMergedOcc 0
30 mol 45 unq 0 iso 0 dist 6.43774 6.06454 5.73693 5.24762 7.2846 9.44459 numMergedOcc 0
31 mol 45 unq 1 iso 0 dist 7.2846 9.44459 5.73693 5.24762 6.43774 6.06454 numMergedOcc 0
32 mol 45 unq 2 iso 0 dist 7.58835 9.44459 11.6164 5.24762 11.2563 6.06454 numMergedOcc 0
33 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 12.2509 16.4714 9.96399 numMergedOcc 0
34 mol 60 unq 1 iso 0 dist 8.90863 8.82176 13.0114 5.00018 11.1899 7.55695 numMergedOcc 0
35 mol 60 unq 2 iso 0 dist 8.33063 9.96399 9.62257 7.29309 8.7531 7.55695 numMergedOcc 0
36 mol 60 unq 3 iso 0 dist 8.33063 9.96399 9.62257 12.2509 11.5843 8.82176 numMergedOcc 0
37 mol 60 unq 4 iso 0 dist 8.7531 7.55695 9.62257 7.29309 8.33063 9.96399 numMergedOcc 0
38 mol 60 unq 5 iso 0 dist 8.7531 7.55695 9.62257 5.00018 11.5843 8.82176 numMergedOcc 0
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40 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.4148 10.2049 8.73253 numMergedOcc 0
41 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 5.4148 6.19304 8.73253 numMergedOcc 0
42 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 5.4148 9.96396 7.04044 numMergedOcc 0
43 mol 73 unq 3 iso 0 dist 8.70481 8.85586 14.8866 8.07446 16.0098 5.16364 numMergedOcc 0
44 mol 73 unq 4 iso 0 dist 9.75218 7.04044 8.35241 5.4148 11.6369 8.73253 numMergedOcc 0
45 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 4.26409 11.3023 8.00777 numMergedOcc 0
46 mol 85 unq 1 iso 0 dist 7.95579 8.00777 5.08358 4.26409 6.19965 7.1589 numMergedOcc 0
47 mol 85 unq 2 iso 0 dist 6.19965 7.1589 5.08358 4.26409 7.95579 8.00777 numMergedOcc 0
48 mol 94 unq 0 iso 0 dist 7.89459 9.97569 5.60279 7.49897 10.1664 8.16733 numMergedOcc 0
49 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 4.98336 13.4572 7.55384 numMergedOcc 0
50 mol 112 unq 0 iso 0 dist 7.71338 6.47042 10.0814 4.8896 11.5121 6.78038 numMergedOcc 0
51 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 5.0812 12.603 9.92283 numMergedOcc 0
52 mol 112 unq 2 iso 0 dist 9.60462 9.92283 17.3924 5.0812 13.9874 6.43433 numMergedOcc 0
53 mol 112 unq 3 iso 0 dist 9.60462 7.23962 3.98564 7.03147 11.192 9.00067 numMergedOcc 0
54 mol 112 unq 4 iso 0 dist 9.60462 7.23962 3.98564 11.4954 10.9806 9.89499 numMergedOcc 0
55 mol 112 unq 5 iso 0 dist 9.60462 7.23962 3.98564 7.05226 7.45389 7.30204 numMergedOcc 0
56 mol 112 unq 6 iso 0 dist 7.45389 7.30204 3.98564 7.05226 9.60462 7.23962 numMergedOcc 0
57 mol 112 unq 7 iso 0 dist 7.45389 7.30204 3.98564 5.56241 11.192 9.00067 numMergedOcc 0
58 mol 112 unq 8 iso 0 dist 7.45389 7.30204 3.98564 6.77737 10.9806 9.89499 numMergedOcc 0
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60 mol 119 unq 1 iso 0 dist 9.87172 7.99857 7.61939 4.85907 12.6489 8.56342 numMergedOcc 0
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62 mol 131 unq 1 iso 0 dist 7.12972 8.71039 5.89022 5.55373 8.40312 8.86329 numMergedOcc 0
63 mol 131 unq 2 iso 0 dist 7.12972 6.92648 9.32969 7.58238 14.2958 9.15431 numMergedOcc 0
64 mol 131 unq 3 iso 0 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 numMergedOcc 0
65 mol 131 unq 4 iso 0 dist 6.85062 9.29384 9.32969 13.2572 14.2958 9.15431 numMergedOcc 0
66 mol 131 unq 5 iso 0 dist 6.85062 9.29384 9.32969 6.63273 7.12972 6.92648 numMergedOcc 0
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85 mol 186 unq 4 iso 0 dist 9.09754 8.64409 9.97575 7.18269 14.1487 7.60202 numMergedOcc 0
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100 mol 229 unq 5 iso 0 dist 7.03423 8.92743 9.62106 15.7694 17.78 8.19603 numMergedOcc 0
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103 mol 229 unq 8 iso 0 dist 9.87838 5.77318 7.7339 9.96077 13.8823 8.19603 numMergedOcc 0
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109 mol 234 unq 5 iso 0 dist 9.36357 8.24186 5.6819 5.88703 6.7625 7.5366 numMergedOcc 0
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111 mol 234 unq 7 iso 0 dist 9.45496 7.5366 5.63086 5.88703 6.56247 8.24186 numMergedOcc 0
112 mol 234 unq 8 iso 0 dist 6.7625 7.5366 5.6819 9.82284 12.4862 7.56091 numMergedOcc 0
113 mol 234 unq 9 iso 0 dist 6.7625 7.5366 5.6819 5.88703 9.36357 8.24186 numMergedOcc 0
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130 mol 258 unq 3 iso 0 dist 6.42289 7.86627 6.44209 5.30627 10.1675 7.93574 numMergedOcc 0
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137 mol 272 unq 1 iso 0 dist 9.97651 9.64269 4.86504 8.12676 8.46116 8.46061 numMergedOcc 0
138 mol 272 unq 2 iso 0 dist 8.33638 8.46061 8.7909 8.12676 13.2494 9.64269 numMergedOcc 0
139 mol 272 unq 3 iso 0 dist 8.33638 8.46061 8.7909 7.34222 13.168 6.88809 numMergedOcc 0
140 mol 272 unq 4 iso 0 dist 8.46116 8.46061 4.86504 8.12676 9.97651 9.64269 numMergedOcc 0
141 mol 272 unq 5 iso 0 dist 8.46116 8.46061 4.86504 7.34222 10.1698 6.88809 numMergedOcc 0
