0 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 12.1754 7.63133 10.8455 5.36195 8.43054 4.65873 9.81307 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.76968 12.1754 7.63133 4.2139 6.31718 10.8455 5.36195 8.43054 9.81307 4.65873 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 6.40447 8.09311 11.6226 6.17155 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.11056 6.9756 8.38394 10.4744 8.86116 6.44287 6.40447 8.09311 6.17155 11.6226 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 3.96014 9.05357 13.1949 10.3122 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.11056 6.9756 8.38394 10.4744 8.86116 6.44287 3.96014 9.05357 10.3122 13.1949 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 14.4191 7.17969 4.33106 6.29702 4.79873 10.2864 11.4148 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 8.40051 14.4191 7.17969 13.466 7.57578 4.33106 6.29702 4.79873 11.4148 10.2864 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.40051 13.466 7.57578 14.4191 7.17969 4.33106 13.591 9.48085 5.18617 5.68041 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 8.40051 14.4191 7.17969 13.466 7.57578 4.33106 13.591 9.48085 5.68041 5.18617 numMergedOcc 0
10 mol 38 unq 0 iso 0 dist 5.73067 5.79134 7.50293 5.48241 9.91611 5.79773 5.96514 7.26639 4.40004 8.68364 numMergedOcc 0
11 mol 38 unq 0 iso 1 dist 5.73067 5.48241 9.91611 5.79134 7.50293 5.79773 5.96514 7.26639 8.68364 4.40004 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 9.21014 6.19965 4.26409 6.97936 7.7068 6.36397 4.41789 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 6.58793 9.21014 6.19965 10.1919 7.95579 4.26409 6.97936 7.7068 4.41789 6.36397 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 6.58793 10.1919 7.95579 7.83419 7.66905 10.7229 6.97936 7.7068 6.36397 5.59906 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 6.97936 7.7068 5.59906 6.36397 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 7.83419 7.66905 6.9948 6.97936 7.7068 4.41789 5.59906 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 6.97936 7.7068 5.59906 4.41789 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 9.65047 5.33325 7.27724 5.69671 8.03644 8.41707 8.55456 9.3948 3.94537 11.3215 numMergedOcc 0
19 mol 95 unq 0 iso 1 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 8.55456 9.3948 11.3215 3.94537 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 9.65047 5.33325 7.27724 5.69671 8.03644 8.41707 3.84879 9.74607 6.12605 5.06946 numMergedOcc 0
21 mol 95 unq 1 iso 1 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 3.84879 9.74607 5.06946 6.12605 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 6.75472 5.83991 10.8507 5.33827 7.69765 10.3209 4.48636 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 5.02717 6.75472 5.83991 5.28901 7.30858 10.8507 5.33827 7.69765 4.48636 10.3209 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 5.02717 5.28901 7.30858 6.75472 5.83991 10.8507 12.6105 9.42082 15.3161 6.63111 numMergedOcc 0
25 mol 115 unq 1 iso 1 dist 5.02717 6.75472 5.83991 5.28901 7.30858 10.8507 12.6105 9.42082 6.63111 15.3161 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 5.02717 5.28901 7.30858 11.0268 7.88312 11.5723 5.33827 7.69765 10.3209 11.835 numMergedOcc 0
27 mol 115 unq 2 iso 1 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 5.33827 7.69765 11.835 10.3209 numMergedOcc 0
28 mol 115 unq 3 iso 0 dist 5.02717 5.28901 7.30858 11.0268 7.88312 11.5723 12.6105 9.42082 15.3161 6.07067 numMergedOcc 0
29 mol 115 unq 3 iso 1 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 12.6105 9.42082 6.07067 15.3161 numMergedOcc 0
30 mol 115 unq 2 iso 0 dist 5.02717 6.75472 5.83991 11.0268 7.88312 8.02349 5.33827 7.69765 4.48636 11.835 numMergedOcc 0
31 mol 115 unq 2 iso 1 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 5.33827 7.69765 11.835 4.48636 numMergedOcc 0
32 mol 115 unq 3 iso 0 dist 5.02717 6.75472 5.83991 11.0268 7.88312 8.02349 12.6105 9.42082 6.63111 6.07067 numMergedOcc 0
33 mol 115 unq 3 iso 1 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 12.6105 9.42082 6.07067 6.63111 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 5.27151 7.83136 7.22206 5.61881 8.84018 7.20875 3.77029 numMergedOcc 0
35 mol 117 unq 0 iso 1 dist 6.90827 5.27151 7.83136 10.4485 7.90328 7.22206 5.61881 8.84018 3.77029 7.20875 numMergedOcc 0
36 mol 117 unq 1 iso 0 dist 6.90827 10.4485 7.90328 4.45276 7.0603 9.3584 5.61881 8.84018 7.20875 5.21535 numMergedOcc 0
37 mol 117 unq 1 iso 1 dist 6.90827 4.45276 7.0603 10.4485 7.90328 9.3584 5.61881 8.84018 5.21535 7.20875 numMergedOcc 0
38 mol 117 unq 1 iso 0 dist 6.90827 5.27151 7.83136 4.45276 7.0603 7.21564 5.61881 8.84018 3.77029 5.21535 numMergedOcc 0
39 mol 117 unq 1 iso 1 dist 6.90827 4.45276 7.0603 5.27151 7.83136 7.21564 5.61881 8.84018 5.21535 3.77029 numMergedOcc 0
40 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 10.6616 7.83136 7.22206 9.58747 8.84018 7.20875 3.77029 numMergedOcc 0
41 mol 117 unq 2 iso 1 dist 8.90977 10.6616 7.83136 13.8755 7.90328 7.22206 9.58747 8.84018 3.77029 7.20875 numMergedOcc 0
42 mol 117 unq 3 iso 0 dist 8.90977 13.8755 7.90328 4.98254 7.0603 9.3584 9.58747 8.84018 7.20875 5.21535 numMergedOcc 0
43 mol 117 unq 3 iso 1 dist 8.90977 4.98254 7.0603 13.8755 7.90328 9.3584 9.58747 8.84018 5.21535 7.20875 numMergedOcc 0
44 mol 117 unq 3 iso 0 dist 8.90977 10.6616 7.83136 4.98254 7.0603 7.21564 9.58747 8.84018 3.77029 5.21535 numMergedOcc 0
45 mol 117 unq 3 iso 1 dist 8.90977 4.98254 7.0603 10.6616 7.83136 7.21564 9.58747 8.84018 5.21535 3.77029 numMergedOcc 0
46 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 4.64588 6.80239 7.81217 11.5628 8.77023 13.0405 13.7612 numMergedOcc 0
47 mol 133 unq 0 iso 1 dist 5.82404 4.64588 6.80239 10.2385 6.29155 7.81217 11.5628 8.77023 13.7612 13.0405 numMergedOcc 0
48 mol 133 unq 1 iso 0 dist 5.82404 10.2385 6.29155 5.37072 8.00618 11.965 11.5628 8.77023 13.0405 15.0115 numMergedOcc 0
49 mol 133 unq 1 iso 1 dist 5.82404 5.37072 8.00618 10.2385 6.29155 11.965 11.5628 8.77023 15.0115 13.0405 numMergedOcc 0
50 mol 133 unq 1 iso 0 dist 5.82404 4.64588 6.80239 5.37072 8.00618 7.79672 11.5628 8.77023 13.7612 15.0115 numMergedOcc 0
51 mol 133 unq 1 iso 1 dist 5.82404 5.37072 8.00618 4.64588 6.80239 7.79672 11.5628 8.77023 15.0115 13.7612 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 6.20443 9.86662 6.81259 3.76211 7.21868 8.06642 4.00092 numMergedOcc 0
53 mol 134 unq 0 iso 1 dist 9.92932 6.20443 9.86662 10.5108 8.94367 6.81259 3.76211 7.21868 4.00092 8.06642 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 11.6349 9.33924 6.95573 10.2026 numMergedOcc 0
55 mol 134 unq 1 iso 1 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 11.6349 9.33924 10.2026 6.95573 numMergedOcc 0
56 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 3.76211 7.93372 8.06642 4.00092 numMergedOcc 0
57 mol 134 unq 2 iso 1 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 3.76211 7.93372 4.00092 8.06642 numMergedOcc 0
58 mol 134 unq 3 iso 0 dist 9.55556 11.9294 8.94367 6.36794 9.86662 6.81259 4.63732 7.21868 8.06642 4.00092 numMergedOcc 0
59 mol 134 unq 3 iso 1 dist 9.55556 6.36794 9.86662 11.9294 8.94367 6.81259 4.63732 7.21868 4.00092 8.06642 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 12.9554 7.63312 8.85576 7.19461 6.64173 6.8757 10.6474 numMergedOcc 0
61 mol 181 unq 0 iso 1 dist 9.84952 12.9554 7.63312 4.3158 7.81386 8.85576 7.19461 6.64173 10.6474 6.8757 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 12.9554 7.63312 8.85576 9.77747 9.01624 5.71898 5.93724 numMergedOcc 0
63 mol 181 unq 1 iso 1 dist 9.84952 12.9554 7.63312 4.3158 7.81386 8.85576 9.77747 9.01624 5.93724 5.71898 numMergedOcc 0
64 mol 181 unq 2 iso 0 dist 9.84952 4.3158 7.81386 12.9554 7.63312 8.85576 10.0615 9.55105 5.83796 5.12833 numMergedOcc 0
65 mol 181 unq 2 iso 1 dist 9.84952 12.9554 7.63312 4.3158 7.81386 8.85576 10.0615 9.55105 5.12833 5.83796 numMergedOcc 0
66 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 10.7091 7.26832 7.38516 6.96644 6.52816 9.49403 13.514 numMergedOcc 0
67 mol 205 unq 0 iso 1 dist 5.96555 10.7091 7.26832 4.6995 6.03031 7.38516 6.96644 6.52816 13.514 9.49403 numMergedOcc 0
68 mol 205 unq 1 iso 0 dist 5.96555 4.6995 6.03031 5.87892 7.80463 8.18714 6.96644 6.52816 9.49403 3.56269 numMergedOcc 0
69 mol 205 unq 1 iso 1 dist 5.96555 5.87892 7.80463 4.6995 6.03031 8.18714 6.96644 6.52816 3.56269 9.49403 numMergedOcc 0
70 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 5.87892 7.80463 13.8543 6.96644 6.52816 13.514 3.56269 numMergedOcc 0
71 mol 205 unq 1 iso 1 dist 5.96555 5.87892 7.80463 10.7091 7.26832 13.8543 6.96644 6.52816 3.56269 13.514 numMergedOcc 0
72 mol 214 unq 0 iso 0 dist 9.51764 6.28065 9.65138 11.2159 7.14453 9.10746 14.8375 7.46481 11.4955 8.459 numMergedOcc 0
73 mol 214 unq 0 iso 1 dist 9.51764 11.2159 7.14453 6.28065 9.65138 9.10746 14.8375 7.46481 8.459 11.4955 numMergedOcc 0
74 mol 214 unq 1 iso 0 dist 9.51764 6.28065 9.65138 6.53326 8.85478 4.40923 14.8375 7.46481 11.4955 11.1534 numMergedOcc 0
75 mol 214 unq 1 iso 1 dist 9.51764 6.53326 8.85478 6.28065 9.65138 4.40923 14.8375 7.46481 11.1534 11.4955 numMergedOcc 0
76 mol 214 unq 1 iso 0 dist 9.51764 11.2159 7.14453 6.53326 8.85478 11.3796 14.8375 7.46481 8.459 11.1534 numMergedOcc 0
77 mol 214 unq 1 iso 1 dist 9.51764 6.53326 8.85478 11.2159 7.14453 11.3796 14.8375 7.46481 11.1534 8.459 numMergedOcc 0
78 mol 214 unq 2 iso 0 dist 5.36829 11.7583 9.65138 4.98764 7.14453 9.10746 5.47184 7.46481 11.4955 8.459 numMergedOcc 0
79 mol 214 unq 2 iso 1 dist 5.36829 4.98764 7.14453 11.7583 9.65138 9.10746 5.47184 7.46481 8.459 11.4955 numMergedOcc 0
80 mol 214 unq 3 iso 0 dist 5.36829 11.7583 9.65138 12.3481 8.85478 4.40923 5.47184 7.46481 11.4955 11.1534 numMergedOcc 0
81 mol 214 unq 3 iso 1 dist 5.36829 12.3481 8.85478 11.7583 9.65138 4.40923 5.47184 7.46481 11.1534 11.4955 numMergedOcc 0
82 mol 214 unq 3 iso 0 dist 5.36829 4.98764 7.14453 12.3481 8.85478 11.3796 5.47184 7.46481 8.459 11.1534 numMergedOcc 0
83 mol 214 unq 3 iso 1 dist 5.36829 12.3481 8.85478 4.98764 7.14453 11.3796 5.47184 7.46481 11.1534 8.459 numMergedOcc 0
84 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 10.7439 7.03423 5.57838 3.72432 7.27993 5.70473 7.22525 numMergedOcc 0
85 mol 229 unq 0 iso 1 dist 8.6537 10.7439 7.03423 8.65216 8.22528 5.57838 3.72432 7.27993 7.22525 5.70473 numMergedOcc 0
86 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 6.94762 6.7625 7.82322 9.8663 7.81215 12.4252 5.75498 numMergedOcc 0
87 mol 234 unq 0 iso 1 dist 7.86368 6.94762 6.7625 12.0816 9.45496 7.82322 9.8663 7.81215 5.75498 12.4252 numMergedOcc 0
88 mol 259 unq 0 iso 0 dist 5.90645 4.62072 8.53687 10.4985 8.13497 10.582 9.54522 9.07743 6.73882 8.8603 numMergedOcc 0
89 mol 259 unq 0 iso 1 dist 5.90645 10.4985 8.13497 4.62072 8.53687 10.582 9.54522 9.07743 8.8603 6.73882 numMergedOcc 0
90 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 9.79538 7.88519 4.69778 9.0675 9.46361 12.2293 11.6988 numMergedOcc 0
91 mol 259 unq 1 iso 1 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 9.0675 9.46361 11.6988 12.2293 numMergedOcc 0
