0 mol 9 unq 0 iso 0 dist 8.076 8.88528 7.35972 14.0736 9.93542 5.43306 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.076 14.0736 9.93542 8.88528 7.35972 5.43306 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.32226 4.58685 7.35972 5.83039 9.93542 5.43306 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 6.32226 5.83039 9.93542 4.58685 7.35972 5.43306 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.2004 7.72688 8.00171 4.82556 5.95834 10.3279 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 6.2004 4.82556 5.95834 7.72688 8.00171 10.3279 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.2004 7.72688 8.00171 6.25108 4.2121 7.88693 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 6.2004 6.25108 4.2121 7.72688 8.00171 7.88693 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.2004 7.72688 8.00171 11.8207 6.72323 10.2653 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 6.2004 11.8207 6.72323 7.72688 8.00171 10.2653 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.2004 4.82556 5.95834 6.25108 4.2121 4.15946 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 6.2004 6.25108 4.2121 4.82556 5.95834 4.15946 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 6.2004 4.82556 5.95834 11.8207 6.72323 9.92026 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 6.2004 11.8207 6.72323 4.82556 5.95834 9.92026 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 6.2004 6.25108 4.2121 11.8207 6.72323 6.16544 numMergedOcc 0
15 mol 24 unq 2 iso 1 dist 6.2004 11.8207 6.72323 6.25108 4.2121 6.16544 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 9.36156 6.01679 5.82754 11.0747 9.05679 7.21092 numMergedOcc 0
17 mol 79 unq 0 iso 1 dist 9.36156 11.0747 9.05679 6.01679 5.82754 7.21092 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 9.05259 8.0763 6.77241 12.2082 5.50508 6.2185 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 9.05259 12.2082 5.50508 8.0763 6.77241 6.2185 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 7.39179 13.0644 9.60622 9.98219 9.91054 5.74171 numMergedOcc 0
21 mol 92 unq 1 iso 1 dist 7.39179 9.98219 9.91054 13.0644 9.60622 5.74171 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 8.43352 8.02554 7.36769 11.2092 6.88901 10.2754 numMergedOcc 0
23 mol 98 unq 0 iso 1 dist 8.43352 11.2092 6.88901 8.02554 7.36769 10.2754 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 9.98397 5.51078 9.73158 6.80501 7.59327 5.41583 numMergedOcc 0
25 mol 129 unq 0 iso 1 dist 9.98397 6.80501 7.59327 5.51078 9.73158 5.41583 numMergedOcc 0
26 mol 129 unq 1 iso 0 dist 9.94578 6.84211 9.73158 4.53459 7.59327 5.41583 numMergedOcc 0
27 mol 129 unq 1 iso 1 dist 9.94578 4.53459 7.59327 6.84211 9.73158 5.41583 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 7.82544 5.61022 6.84835 12.8357 8.42748 9.63809 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 7.82544 12.8357 8.42748 5.61022 6.84835 9.63809 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 6.18808 5.71483 6.84835 5.83691 8.42748 9.63809 numMergedOcc 0
31 mol 133 unq 1 iso 1 dist 6.18808 5.83691 8.42748 5.71483 6.84835 9.63809 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 7.64956 8.69924 9.10042 9.41497 9.75059 4.72386 numMergedOcc 0
33 mol 141 unq 0 iso 1 dist 7.64956 9.41497 9.75059 8.69924 9.10042 4.72386 numMergedOcc 0
34 mol 141 unq 1 iso 0 dist 7.64956 8.69924 9.10042 9.53115 6.83404 13.0212 numMergedOcc 0
35 mol 141 unq 1 iso 1 dist 7.64956 9.53115 6.83404 8.69924 9.10042 13.0212 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 7.64956 9.41497 9.75059 9.53115 6.83404 11.0187 numMergedOcc 0
37 mol 141 unq 1 iso 1 dist 7.64956 9.53115 6.83404 9.41497 9.75059 11.0187 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 7.46845 12.4049 8.21184 11.7015 5.9976 6.12113 numMergedOcc 0
39 mol 156 unq 0 iso 1 dist 7.46845 11.7015 5.9976 12.4049 8.21184 6.12113 numMergedOcc 0
40 mol 171 unq 0 iso 0 dist 7.32555 9.8515 7.22518 9.54524 5.25109 7.9115 numMergedOcc 0
41 mol 171 unq 0 iso 1 dist 7.32555 9.54524 5.25109 9.8515 7.22518 7.9115 numMergedOcc 0
42 mol 171 unq 1 iso 0 dist 8.1536 9.18337 5.25109 8.83874 8.21618 3.98338 numMergedOcc 0
43 mol 171 unq 1 iso 1 dist 8.1536 8.83874 8.21618 9.18337 5.25109 3.98338 numMergedOcc 0
44 mol 194 unq 0 iso 0 dist 5.68348 7.50057 6.38324 5.92931 6.1886 9.4131 numMergedOcc 0
45 mol 194 unq 0 iso 1 dist 5.68348 5.92931 6.1886 7.50057 6.38324 9.4131 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 6.57921 7.86594 9.78181 13.8622 9.8664 16.4381 numMergedOcc 0
47 mol 232 unq 0 iso 1 dist 6.57921 13.8622 9.8664 7.86594 9.78181 16.4381 numMergedOcc 0
48 mol 256 unq 0 iso 0 dist 9.66027 7.29258 4.98734 11.299 6.37963 4.56465 numMergedOcc 0
49 mol 256 unq 0 iso 1 dist 9.66027 11.299 6.37963 7.29258 4.98734 4.56465 numMergedOcc 0
50 mol 256 unq 1 iso 0 dist 9.66027 7.29258 4.98734 6.85417 8.16803 8.02729 numMergedOcc 0
51 mol 256 unq 1 iso 1 dist 9.66027 6.85417 8.16803 7.29258 4.98734 8.02729 numMergedOcc 0
52 mol 256 unq 1 iso 0 dist 9.66027 11.299 6.37963 6.85417 8.16803 12.3316 numMergedOcc 0
53 mol 256 unq 1 iso 1 dist 9.66027 6.85417 8.16803 11.299 6.37963 12.3316 numMergedOcc 0
54 mol 256 unq 2 iso 0 dist 8.89892 4.55079 6.33496 7.29918 6.00636 4.56465 numMergedOcc 0
55 mol 256 unq 2 iso 1 dist 8.89892 7.29918 6.00636 4.55079 6.33496 4.56465 numMergedOcc 0
56 mol 256 unq 3 iso 0 dist 8.89892 4.55079 6.33496 8.66399 7.81448 9.60398 numMergedOcc 0
57 mol 256 unq 3 iso 1 dist 8.89892 8.66399 7.81448 4.55079 6.33496 9.60398 numMergedOcc 0
58 mol 256 unq 4 iso 0 dist 8.89892 4.55079 6.33496 6.4708 8.54499 7.37964 numMergedOcc 0
59 mol 256 unq 4 iso 1 dist 8.89892 6.4708 8.54499 4.55079 6.33496 7.37964 numMergedOcc 0
60 mol 256 unq 3 iso 0 dist 8.89892 7.29918 6.00636 8.66399 7.81448 11.7084 numMergedOcc 0
61 mol 256 unq 3 iso 1 dist 8.89892 8.66399 7.81448 7.29918 6.00636 11.7084 numMergedOcc 0
62 mol 256 unq 4 iso 0 dist 8.89892 7.29918 6.00636 6.4708 8.54499 10.9861 numMergedOcc 0
63 mol 256 unq 4 iso 1 dist 8.89892 6.4708 8.54499 7.29918 6.00636 10.9861 numMergedOcc 0
64 mol 256 unq 4 iso 0 dist 8.89892 8.66399 7.81448 6.4708 8.54499 4.46458 numMergedOcc 0
65 mol 256 unq 4 iso 1 dist 8.89892 6.4708 8.54499 8.66399 7.81448 4.46458 numMergedOcc 0
66 mol 274 unq 0 iso 0 dist 8.2997 5.36428 6.88827 14.986 9.16942 11.6106 numMergedOcc 0
67 mol 274 unq 0 iso 1 dist 8.2997 14.986 9.16942 5.36428 6.88827 11.6106 numMergedOcc 0
