0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 10.0411 14.2009 10.1278 6.38574 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 10.0411 10.1278 14.2009 6.38574 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 10.0411 14.2009 7.7312 6.38574 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 10.0411 7.7312 14.2009 6.38574 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 4.44441 10.1278 7.7312 6.38574 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 4.44441 7.7312 10.1278 6.38574 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 10.0411 10.1278 7.7312 6.38574 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 10.0411 7.7312 10.1278 6.38574 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 12.323 11.6815 11.0464 7.40236 numMergedOcc 0
9 mol 19 unq 3 iso 1 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 12.323 11.0464 11.6815 7.40236 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 5.84319 12.3849 8.27463 9.44125 numMergedOcc 0
11 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 5.84319 8.27463 12.3849 9.44125 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 8.26899 5.98837 4.55117 8.44881 12.1872 8.34191 8.88313 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 8.44881 8.34191 12.1872 8.88313 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 6.81627 7.32874 5.47421 8.26899 5.98837 4.55117 4.25144 7.4785 6.39747 5.48837 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 4.25144 6.39747 7.4785 5.48837 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 6.81627 9.55426 9.7274 8.26899 5.98837 10.3782 8.44881 12.1872 9.79064 8.88313 numMergedOcc 0
17 mol 58 unq 2 iso 1 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 8.44881 9.79064 12.1872 8.88313 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 6.81627 9.55426 9.7274 8.26899 5.98837 10.3782 4.25144 7.4785 10.307 5.48837 numMergedOcc 0
19 mol 58 unq 3 iso 1 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 4.25144 10.307 7.4785 5.48837 numMergedOcc 0
20 mol 58 unq 2 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 8.44881 8.34191 9.79064 8.88313 numMergedOcc 0
21 mol 58 unq 2 iso 1 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 8.44881 9.79064 8.34191 8.88313 numMergedOcc 0
22 mol 58 unq 3 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 4.25144 6.39747 10.307 5.48837 numMergedOcc 0
23 mol 58 unq 3 iso 1 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 4.25144 10.307 6.39747 5.48837 numMergedOcc 0
24 mol 58 unq 4 iso 0 dist 6.86465 6.62496 5.30792 9.58673 5.92889 10.2241 4.59417 9.23438 9.9105 8.98478 numMergedOcc 0
25 mol 58 unq 4 iso 1 dist 6.62496 6.86465 5.30792 9.58673 10.2241 5.92889 4.59417 9.9105 9.23438 8.98478 numMergedOcc 0
26 mol 58 unq 5 iso 0 dist 6.86465 6.35756 5.35073 9.58673 5.92889 7.05413 4.59417 9.23438 7.17488 8.98478 numMergedOcc 0
27 mol 58 unq 5 iso 1 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 4.59417 7.17488 9.23438 8.98478 numMergedOcc 0
28 mol 58 unq 5 iso 0 dist 6.62496 6.35756 4.81926 9.58673 10.2241 7.05413 4.59417 9.9105 7.17488 8.98478 numMergedOcc 0
29 mol 58 unq 5 iso 1 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 4.59417 7.17488 9.9105 8.98478 numMergedOcc 0
30 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 4.73407 6.23522 11.3218 7.78587 numMergedOcc 0
31 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 4.73407 11.3218 6.23522 7.78587 numMergedOcc 0
32 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 4.73407 6.23522 12.8353 7.78587 numMergedOcc 0
33 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 4.73407 12.8353 6.23522 7.78587 numMergedOcc 0
34 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 4.73407 11.3218 12.8353 7.78587 numMergedOcc 0
35 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 4.73407 12.8353 11.3218 7.78587 numMergedOcc 0
36 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 5.15851 10.0425 11.8774 4.74027 9.16597 11.7473 7.30467 numMergedOcc 0
37 mol 75 unq 0 iso 1 dist 8.56639 7.79912 5.64643 5.15851 11.8774 10.0425 4.74027 11.7473 9.16597 7.30467 numMergedOcc 0
38 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 5.15851 10.0425 10.0372 4.74027 9.16597 13.2779 7.30467 numMergedOcc 0
39 mol 75 unq 1 iso 1 dist 8.59017 7.79912 10.4899 5.15851 10.0372 10.0425 4.74027 13.2779 9.16597 7.30467 numMergedOcc 0
40 mol 75 unq 1 iso 0 dist 8.56639 8.59017 7.00674 5.15851 11.8774 10.0372 4.74027 11.7473 13.2779 7.30467 numMergedOcc 0
41 mol 75 unq 1 iso 1 dist 8.59017 8.56639 7.00674 5.15851 10.0372 11.8774 4.74027 13.2779 11.7473 7.30467 numMergedOcc 0
42 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 9.2603 6.95868 6.97239 4.47193 6.65615 5.07548 9.08952 numMergedOcc 0
43 mol 88 unq 0 iso 1 dist 8.31336 9.36773 5.57085 9.2603 6.97239 6.95868 4.47193 5.07548 6.65615 9.08952 numMergedOcc 0
44 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 8.59981 14.9761 14.085 14.8455 21.5294 17.6043 9.70065 numMergedOcc 0
45 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 14.8455 17.6043 21.5294 9.70065 numMergedOcc 0
46 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 4.05822 8.04118 8.39035 5.69323 numMergedOcc 0
47 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 4.05822 8.39035 8.04118 5.69323 numMergedOcc 0
48 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 4.05822 8.04118 11.6454 5.69323 numMergedOcc 0
49 mol 142 unq 1 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 4.05822 11.6454 8.04118 5.69323 numMergedOcc 0
50 mol 142 unq 2 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 4.7832 8.04118 8.39035 5.69323 numMergedOcc 0
51 mol 142 unq 2 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 4.7832 8.39035 8.04118 5.69323 numMergedOcc 0
52 mol 142 unq 1 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 4.05822 8.39035 11.6454 5.69323 numMergedOcc 0
53 mol 142 unq 1 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 4.05822 11.6454 8.39035 5.69323 numMergedOcc 0
54 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 3.79489 11.8936 12.1503 8.22067 numMergedOcc 0
55 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 3.79489 12.1503 11.8936 8.22067 numMergedOcc 0
56 mol 156 unq 1 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 3.79489 11.8936 11.8938 8.22067 numMergedOcc 0
57 mol 156 unq 1 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 3.79489 11.8938 11.8936 8.22067 numMergedOcc 0
58 mol 156 unq 1 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 3.79489 12.1503 11.8938 8.22067 numMergedOcc 0
59 mol 156 unq 1 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 3.79489 11.8938 12.1503 8.22067 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 11.618 11.8368 15.9184 7.61421 numMergedOcc 0
61 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 11.618 15.9184 11.8368 7.61421 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 11.618 11.8368 17.4077 7.61421 numMergedOcc 0
63 mol 181 unq 1 iso 1 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 11.618 17.4077 11.8368 7.61421 numMergedOcc 0
64 mol 181 unq 1 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 11.618 15.9184 17.4077 7.61421 numMergedOcc 0
65 mol 181 unq 1 iso 1 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 11.618 17.4077 15.9184 7.61421 numMergedOcc 0
66 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 5.90931 5.09262 12.9483 6.49075 12.9966 13.0232 9.58537 numMergedOcc 0
67 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 5.90931 12.9483 5.09262 6.49075 13.0232 12.9966 9.58537 numMergedOcc 0
68 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 13.8525 16.8561 18.009 7.91374 numMergedOcc 0
69 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 13.8525 18.009 16.8561 7.91374 numMergedOcc 0
70 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 13.8525 16.8561 15.3921 7.91374 numMergedOcc 0
71 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 13.8525 15.3921 16.8561 7.91374 numMergedOcc 0
72 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 13.8525 18.009 15.3921 7.91374 numMergedOcc 0
73 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 13.8525 15.3921 18.009 7.91374 numMergedOcc 0
74 mol 234 unq 2 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 12.7879 18.009 15.3921 5.69634 numMergedOcc 0
75 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 12.7879 15.3921 18.009 5.69634 numMergedOcc 0
76 mol 234 unq 3 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 12.7879 18.009 15.3921 7.91374 numMergedOcc 0
77 mol 234 unq 3 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 12.7879 15.3921 18.009 7.91374 numMergedOcc 0
78 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 6.65799 12.9913 14.3297 9.28024 numMergedOcc 0
79 mol 259 unq 0 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 6.65799 14.3297 12.9913 9.28024 numMergedOcc 0
80 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 6.65799 12.9913 11.9533 9.28024 numMergedOcc 0
81 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 6.65799 11.9533 12.9913 9.28024 numMergedOcc 0
82 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 6.65799 12.9913 15.5673 9.28024 numMergedOcc 0
83 mol 259 unq 2 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 6.65799 15.5673 12.9913 9.28024 numMergedOcc 0
84 mol 259 unq 1 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 6.65799 14.3297 11.9533 9.28024 numMergedOcc 0
85 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 6.65799 11.9533 14.3297 9.28024 numMergedOcc 0
86 mol 259 unq 2 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 6.65799 14.3297 15.5673 9.28024 numMergedOcc 0
87 mol 259 unq 2 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 6.65799 15.5673 14.3297 9.28024 numMergedOcc 0
88 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 6.65799 11.9533 15.5673 9.28024 numMergedOcc 0
89 mol 259 unq 2 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 6.65799 15.5673 11.9533 9.28024 numMergedOcc 0
90 mol 264 unq 0 iso 0 dist 9.361 6.24356 10.3202 9.5784 9.85579 9.67998 11.147 11.9373 15.2551 8.56867 numMergedOcc 0
91 mol 264 unq 0 iso 1 dist 6.24356 9.361 10.3202 9.5784 9.67998 9.85579 11.147 15.2551 11.9373 8.56867 numMergedOcc 0
92 mol 264 unq 1 iso 0 dist 9.361 6.24356 10.3202 9.5784 9.85579 9.67998 10.0018 11.9269 13.3874 6.29872 numMergedOcc 0
93 mol 264 unq 1 iso 1 dist 6.24356 9.361 10.3202 9.5784 9.67998 9.85579 10.0018 13.3874 11.9269 6.29872 numMergedOcc 0
