0 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 11.2508 9.66439 12.013 5.3787 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 6.94408 6.24978 9.77703 5.3787 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 12.4076 7.3915 8.53529 9.22548 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 6.94408 6.24978 9.77703 9.22548 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 12.4076 7.3915 8.53529 7.96511 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 11.2508 9.66439 12.013 7.96511 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 9.22548 6.24978 9.77703 6.94408 numMergedOcc 0
7 mol 8 unq 2 iso 1 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 12.4076 6.82379 7.03958 6.94408 numMergedOcc 0
8 mol 8 unq 3 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 7.96511 9.66439 12.013 11.2508 numMergedOcc 0
9 mol 8 unq 3 iso 1 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 12.4076 6.82379 7.03958 11.2508 numMergedOcc 0
10 mol 8 unq 3 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 7.96511 9.66439 12.013 5.3787 numMergedOcc 0
11 mol 8 unq 3 iso 1 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 9.22548 6.24978 9.77703 5.3787 numMergedOcc 0
12 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.8007 7.48847 15.4288 5.03957 6.36455 12.3215 10.6598 numMergedOcc 0
13 mol 19 unq 0 iso 1 dist 6.92532 7.75618 13.9675 5.03957 6.36455 12.3215 10.8007 7.48847 15.4288 10.6598 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 7.55695 9.90939 4.82351 7.29309 9.96399 10.5084 5.00018 8.82176 11.6165 12.2509 numMergedOcc 0
15 mol 60 unq 0 iso 1 dist 7.55695 9.90939 4.82351 5.00018 8.82176 11.6165 7.29309 9.96399 10.5084 12.2509 numMergedOcc 0
16 mol 65 unq 0 iso 0 dist 5.69971 7.90294 6.00418 9.20128 9.83239 13.1118 10.2941 8.37515 8.22785 8.06868 numMergedOcc 0
17 mol 65 unq 0 iso 1 dist 5.69971 7.90294 6.00418 10.2941 8.37515 8.22785 9.20128 9.83239 13.1118 8.06868 numMergedOcc 0
18 mol 65 unq 1 iso 0 dist 8.37515 6.76508 7.18126 10.2941 5.69971 11.5413 8.06868 9.83239 13.2643 9.20128 numMergedOcc 0
19 mol 65 unq 1 iso 1 dist 8.37515 6.76508 7.18126 8.06868 9.83239 13.2643 10.2941 5.69971 11.5413 9.20128 numMergedOcc 0
20 mol 65 unq 2 iso 0 dist 8.37515 8.22785 6.00418 10.2941 5.69971 7.90294 8.06868 9.83239 13.1118 9.20128 numMergedOcc 0
21 mol 65 unq 2 iso 1 dist 8.37515 8.22785 6.00418 8.06868 9.83239 13.1118 10.2941 5.69971 7.90294 9.20128 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 7.40461 5.39354 10.3766 8.49023 numMergedOcc 0
23 mol 98 unq 0 iso 1 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 4.50554 7.89665 10.0186 8.49023 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 7.72877 5.74854 7.5242 11.0242 numMergedOcc 0
25 mol 98 unq 1 iso 1 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 4.50554 7.89665 10.0186 11.0242 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 10.51 8.76566 15.4911 8.16331 numMergedOcc 0
27 mol 98 unq 2 iso 1 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 4.50554 7.89665 10.0186 8.16331 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 13.5683 8.8368 17.0991 13.0697 numMergedOcc 0
29 mol 98 unq 3 iso 1 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 4.50554 7.89665 10.0186 13.0697 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 7.72877 5.74854 7.5242 5.09649 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 7.40461 5.39354 10.3766 5.09649 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 10.51 8.76566 15.4911 7.17023 numMergedOcc 0
33 mol 98 unq 2 iso 1 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 7.40461 5.39354 10.3766 7.17023 numMergedOcc 0
34 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 13.5683 8.8368 17.0991 8.31884 numMergedOcc 0
35 mol 98 unq 3 iso 1 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 7.40461 5.39354 10.3766 8.31884 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 10.51 8.76566 15.4911 11.9511 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 7.72877 5.74854 7.5242 11.9511 numMergedOcc 0
38 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 13.5683 8.8368 17.0991 11.569 numMergedOcc 0
39 mol 98 unq 3 iso 1 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 7.72877 5.74854 7.5242 11.569 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 13.5683 8.8368 17.0991 6.66172 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 10.51 8.76566 15.4911 6.66172 numMergedOcc 0
42 mol 98 unq 4 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 11.0242 7.89665 10.0186 4.50554 numMergedOcc 0
43 mol 98 unq 4 iso 1 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 7.72877 5.88354 5.59328 4.50554 numMergedOcc 0
44 mol 98 unq 5 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 5.09649 5.39354 10.3766 7.40461 numMergedOcc 0
45 mol 98 unq 5 iso 1 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 7.72877 5.88354 5.59328 7.40461 numMergedOcc 0
46 mol 98 unq 6 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 11.9511 8.76566 15.4911 10.51 numMergedOcc 0
47 mol 98 unq 6 iso 1 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 7.72877 5.88354 5.59328 10.51 numMergedOcc 0
48 mol 98 unq 7 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 11.569 8.8368 17.0991 13.5683 numMergedOcc 0
49 mol 98 unq 7 iso 1 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 7.72877 5.88354 5.59328 13.5683 numMergedOcc 0
50 mol 98 unq 5 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 5.09649 5.39354 10.3766 8.49023 numMergedOcc 0
51 mol 98 unq 5 iso 1 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 11.0242 7.89665 10.0186 8.49023 numMergedOcc 0
52 mol 98 unq 6 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 11.9511 8.76566 15.4911 8.16331 numMergedOcc 0
53 mol 98 unq 6 iso 1 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 11.0242 7.89665 10.0186 8.16331 numMergedOcc 0
54 mol 98 unq 7 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 11.569 8.8368 17.0991 13.0697 numMergedOcc 0
55 mol 98 unq 7 iso 1 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 11.0242 7.89665 10.0186 13.0697 numMergedOcc 0
56 mol 98 unq 6 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 11.9511 8.76566 15.4911 7.17023 numMergedOcc 0
57 mol 98 unq 6 iso 1 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 5.09649 5.39354 10.3766 7.17023 numMergedOcc 0
58 mol 98 unq 7 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 11.569 8.8368 17.0991 8.31884 numMergedOcc 0
59 mol 98 unq 7 iso 1 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 5.09649 5.39354 10.3766 8.31884 numMergedOcc 0
60 mol 98 unq 7 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 11.569 8.8368 17.0991 6.66172 numMergedOcc 0
61 mol 98 unq 7 iso 1 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 11.9511 8.76566 15.4911 6.66172 numMergedOcc 0
62 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 13.2572 9.15431 15.7676 6.63273 6.92648 12.6227 7.58238 numMergedOcc 0
63 mol 131 unq 0 iso 1 dist 9.29384 8.70296 10.8127 6.63273 6.92648 12.6227 13.2572 9.15431 15.7676 7.58238 numMergedOcc 0
64 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 13.2572 9.15431 18.3571 6.63273 6.92648 11.586 7.58238 numMergedOcc 0
65 mol 131 unq 1 iso 1 dist 9.29384 9.25558 11.2516 6.63273 6.92648 11.586 13.2572 9.15431 18.3571 7.58238 numMergedOcc 0
66 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 6.83844 9.02318 13.4961 8.72919 7.97543 12.1227 7.26616 numMergedOcc 0
67 mol 148 unq 0 iso 1 dist 9.74542 9.91993 7.23332 8.72919 7.97543 12.1227 6.83844 9.02318 13.4961 7.26616 numMergedOcc 0
68 mol 148 unq 1 iso 0 dist 9.74542 6.22055 7.89336 6.83844 9.02318 10.8708 8.72919 7.97543 11.2961 7.26616 numMergedOcc 0
69 mol 148 unq 1 iso 1 dist 9.74542 6.22055 7.89336 8.72919 7.97543 11.2961 6.83844 9.02318 10.8708 7.26616 numMergedOcc 0
70 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 8.77324 7.85526 12.1516 6.98865 8.94552 13.6809 7.24908 numMergedOcc 0
71 mol 150 unq 0 iso 1 dist 9.6606 9.96691 7.35366 6.98865 8.94552 13.6809 8.77324 7.85526 12.1516 7.24908 numMergedOcc 0
72 mol 150 unq 1 iso 0 dist 9.6606 6.14675 7.86976 8.77324 7.85526 11.2313 6.98865 8.94552 10.9703 7.24908 numMergedOcc 0
73 mol 150 unq 1 iso 1 dist 9.6606 6.14675 7.86976 6.98865 8.94552 10.9703 8.77324 7.85526 11.2313 7.24908 numMergedOcc 0
74 mol 150 unq 2 iso 0 dist 9.6606 9.24244 11.8012 8.77324 7.85526 15.2191 6.98865 8.94552 14.9682 7.24908 numMergedOcc 0
75 mol 150 unq 2 iso 1 dist 9.6606 9.24244 11.8012 6.98865 8.94552 14.9682 8.77324 7.85526 15.2191 7.24908 numMergedOcc 0
76 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 13.6814 9.86681 13.8551 13.7214 numMergedOcc 0
77 mol 171 unq 0 iso 1 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 7.31409 5.10618 8.24693 13.7214 numMergedOcc 0
78 mol 171 unq 1 iso 0 dist 7.71426 8.1344 5.90358 7.31409 5.10618 6.71356 13.6814 9.86681 15.2816 13.7214 numMergedOcc 0
79 mol 171 unq 1 iso 1 dist 7.71426 8.1344 5.90358 13.6814 9.86681 15.2816 7.31409 5.10618 6.71356 13.7214 numMergedOcc 0
80 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 13.7214 9.86681 13.8551 13.6814 numMergedOcc 0
81 mol 171 unq 2 iso 1 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 7.31409 7.71426 5.93786 13.6814 numMergedOcc 0
82 mol 171 unq 3 iso 0 dist 5.10618 6.71356 5.90358 7.31409 7.71426 8.1344 13.7214 9.86681 15.2816 13.6814 numMergedOcc 0
83 mol 171 unq 3 iso 1 dist 5.10618 6.71356 5.90358 13.7214 9.86681 15.2816 7.31409 7.71426 8.1344 13.6814 numMergedOcc 0
84 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 14.6506 8.83356 12.645 13.5632 numMergedOcc 0
85 mol 194 unq 0 iso 1 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 8.0179 8.12346 12.0009 13.5632 numMergedOcc 0
86 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 8.48054 8.2654 13.9101 6.26298 numMergedOcc 0
87 mol 194 unq 1 iso 1 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 8.0179 8.12346 12.0009 6.26298 numMergedOcc 0
88 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 8.48054 8.2654 13.9101 11.6097 numMergedOcc 0
89 mol 194 unq 1 iso 1 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 14.6506 8.83356 12.645 11.6097 numMergedOcc 0
90 mol 194 unq 2 iso 0 dist 8.83356 8.29382 12.361 14.6506 6.26839 16.3687 13.5632 8.12346 18.4977 8.0179 numMergedOcc 0
91 mol 194 unq 2 iso 1 dist 8.83356 8.29382 12.361 13.5632 8.12346 18.4977 14.6506 6.26839 16.3687 8.0179 numMergedOcc 0
92 mol 194 unq 3 iso 0 dist 8.83356 8.29382 12.361 14.6506 6.26839 16.3687 11.6097 8.2654 14.3769 8.48054 numMergedOcc 0
93 mol 194 unq 3 iso 1 dist 8.83356 8.29382 12.361 11.6097 8.2654 14.3769 14.6506 6.26839 16.3687 8.48054 numMergedOcc 0
94 mol 194 unq 3 iso 0 dist 8.83356 8.29382 12.361 13.5632 8.12346 18.4977 11.6097 8.2654 14.3769 6.26298 numMergedOcc 0
95 mol 194 unq 3 iso 1 dist 8.83356 8.29382 12.361 11.6097 8.2654 14.3769 13.5632 8.12346 18.4977 6.26298 numMergedOcc 0
96 mol 194 unq 4 iso 0 dist 8.83356 6.72379 7.50057 14.6506 6.26839 12.4952 13.5632 8.12346 15.1649 8.0179 numMergedOcc 0
97 mol 194 unq 4 iso 1 dist 8.83356 6.72379 7.50057 13.5632 8.12346 15.1649 14.6506 6.26839 12.4952 8.0179 numMergedOcc 0
98 mol 194 unq 5 iso 0 dist 8.83356 6.72379 7.50057 14.6506 6.26839 12.4952 11.6097 8.2654 13.2138 8.48054 numMergedOcc 0
99 mol 194 unq 5 iso 1 dist 8.83356 6.72379 7.50057 11.6097 8.2654 13.2138 14.6506 6.26839 12.4952 8.48054 numMergedOcc 0
100 mol 194 unq 5 iso 0 dist 8.83356 6.72379 7.50057 13.5632 8.12346 15.1649 11.6097 8.2654 13.2138 6.26298 numMergedOcc 0
101 mol 194 unq 5 iso 1 dist 8.83356 6.72379 7.50057 11.6097 8.2654 13.2138 13.5632 8.12346 15.1649 6.26298 numMergedOcc 0
102 mol 234 unq 0 iso 0 dist 8.24186 9.81425 9.68666 8.59858 7.56091 13.5134 5.88703 7.5366 13.293 9.82284 numMergedOcc 0
103 mol 234 unq 0 iso 1 dist 8.24186 9.81425 9.68666 5.88703 7.5366 13.293 8.59858 7.56091 13.5134 9.82284 numMergedOcc 0
104 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 5.40359 6.4398 10.1217 10.0191 7.32982 9.24557 10.1648 numMergedOcc 0
105 mol 238 unq 0 iso 1 dist 6.66971 7.57812 4.77308 10.0191 7.32982 9.24557 5.40359 6.4398 10.1217 10.1648 numMergedOcc 0
106 mol 238 unq 1 iso 0 dist 6.66971 8.69104 10.2777 5.40359 6.4398 13.492 10.0191 7.32982 12.9364 10.1648 numMergedOcc 0
107 mol 238 unq 1 iso 1 dist 6.66971 8.69104 10.2777 10.0191 7.32982 12.9364 5.40359 6.4398 13.492 10.1648 numMergedOcc 0
108 mol 238 unq 2 iso 0 dist 7.32982 9.24557 4.77308 10.0191 6.66971 7.57812 10.1648 6.4398 10.1217 5.40359 numMergedOcc 0
109 mol 238 unq 2 iso 1 dist 7.32982 9.24557 4.77308 10.1648 6.4398 10.1217 10.0191 6.66971 7.57812 5.40359 numMergedOcc 0
