0 mol 9 unq 0 iso 0 dist 9.62394 16.147 7.35972 19.4709 9.93542 5.43306 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.62394 19.4709 9.93542 16.147 7.35972 5.43306 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.96346 10.7734 7.98326 9.62262 7.46578 8.00765 numMergedOcc 0
3 mol 11 unq 0 iso 1 dist 5.96346 9.62262 7.46578 10.7734 7.98326 8.00765 numMergedOcc 0
4 mol 11 unq 1 iso 0 dist 6.35398 10.9183 7.98326 9.99434 7.90478 8.05578 numMergedOcc 0
5 mol 11 unq 1 iso 1 dist 6.35398 9.99434 7.90478 10.9183 7.98326 8.05578 numMergedOcc 0
6 mol 17 unq 0 iso 0 dist 9.78331 5.67637 7.25951 4.03817 7.92012 7.31113 numMergedOcc 0
7 mol 17 unq 0 iso 1 dist 9.78331 4.03817 7.92012 5.67637 7.25951 7.31113 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 7.51452 10.0815 5.86181 13.457 6.3253 9.9801 numMergedOcc 0
9 mol 20 unq 0 iso 1 dist 7.51452 13.457 6.3253 10.0815 5.86181 9.9801 numMergedOcc 0
10 mol 20 unq 1 iso 0 dist 7.51452 10.0815 5.86181 11.3821 5.80568 5.64041 numMergedOcc 0
11 mol 20 unq 1 iso 1 dist 7.51452 11.3821 5.80568 10.0815 5.86181 5.64041 numMergedOcc 0
12 mol 20 unq 1 iso 0 dist 7.51452 13.457 6.3253 11.3821 5.80568 7.57412 numMergedOcc 0
13 mol 20 unq 1 iso 1 dist 7.51452 11.3821 5.80568 13.457 6.3253 7.57412 numMergedOcc 0
14 mol 20 unq 2 iso 0 dist 6.09764 8.96335 4.74809 6.05944 7.43882 9.9801 numMergedOcc 0
15 mol 20 unq 2 iso 1 dist 6.09764 6.05944 7.43882 8.96335 4.74809 9.9801 numMergedOcc 0
16 mol 20 unq 3 iso 0 dist 6.09764 8.96335 4.74809 7.46656 7.31198 5.64041 numMergedOcc 0
17 mol 20 unq 3 iso 1 dist 6.09764 7.46656 7.31198 8.96335 4.74809 5.64041 numMergedOcc 0
18 mol 20 unq 3 iso 0 dist 6.09764 6.05944 7.43882 7.46656 7.31198 7.57412 numMergedOcc 0
19 mol 20 unq 3 iso 1 dist 6.09764 7.46656 7.31198 6.05944 7.43882 7.57412 numMergedOcc 0
20 mol 20 unq 4 iso 0 dist 9.20198 8.96335 5.86181 6.05944 6.3253 9.9801 numMergedOcc 0
21 mol 20 unq 4 iso 1 dist 9.20198 6.05944 6.3253 8.96335 5.86181 9.9801 numMergedOcc 0
22 mol 20 unq 5 iso 0 dist 9.20198 8.96335 5.86181 7.46656 5.80568 5.64041 numMergedOcc 0
23 mol 20 unq 5 iso 1 dist 9.20198 7.46656 5.80568 8.96335 5.86181 5.64041 numMergedOcc 0
24 mol 20 unq 5 iso 0 dist 9.20198 6.05944 6.3253 7.46656 5.80568 7.57412 numMergedOcc 0
25 mol 20 unq 5 iso 1 dist 9.20198 7.46656 5.80568 6.05944 6.3253 7.57412 numMergedOcc 0
26 mol 24 unq 0 iso 0 dist 9.41441 4.32034 8.00171 12.2662 5.95834 10.3279 numMergedOcc 0
27 mol 24 unq 0 iso 1 dist 9.41441 12.2662 5.95834 4.32034 8.00171 10.3279 numMergedOcc 0
28 mol 24 unq 1 iso 0 dist 9.41441 4.32034 8.00171 8.67951 4.2121 7.88693 numMergedOcc 0
29 mol 24 unq 1 iso 1 dist 9.41441 8.67951 4.2121 4.32034 8.00171 7.88693 numMergedOcc 0
30 mol 24 unq 2 iso 0 dist 9.41441 4.32034 8.00171 8.52463 6.72323 10.2653 numMergedOcc 0
31 mol 24 unq 2 iso 1 dist 9.41441 8.52463 6.72323 4.32034 8.00171 10.2653 numMergedOcc 0
32 mol 24 unq 1 iso 0 dist 9.41441 12.2662 5.95834 8.67951 4.2121 4.15946 numMergedOcc 0
33 mol 24 unq 1 iso 1 dist 9.41441 8.67951 4.2121 12.2662 5.95834 4.15946 numMergedOcc 0
34 mol 24 unq 2 iso 0 dist 9.41441 12.2662 5.95834 8.52463 6.72323 9.92026 numMergedOcc 0
35 mol 24 unq 2 iso 1 dist 9.41441 8.52463 6.72323 12.2662 5.95834 9.92026 numMergedOcc 0
36 mol 24 unq 2 iso 0 dist 9.41441 8.67951 4.2121 8.52463 6.72323 6.16544 numMergedOcc 0
37 mol 24 unq 2 iso 1 dist 9.41441 8.52463 6.72323 8.67951 4.2121 6.16544 numMergedOcc 0
38 mol 24 unq 3 iso 0 dist 6.73939 6.56748 5.95834 4.50066 4.2121 4.15946 numMergedOcc 0
39 mol 24 unq 3 iso 1 dist 6.73939 4.50066 4.2121 6.56748 5.95834 4.15946 numMergedOcc 0
40 mol 24 unq 4 iso 0 dist 6.73939 6.56748 5.95834 11.9112 8.00171 10.3279 numMergedOcc 0
41 mol 24 unq 4 iso 1 dist 6.73939 11.9112 8.00171 6.56748 5.95834 10.3279 numMergedOcc 0
42 mol 24 unq 5 iso 0 dist 6.73939 6.56748 5.95834 5.11617 6.72323 9.92026 numMergedOcc 0
43 mol 24 unq 5 iso 1 dist 6.73939 5.11617 6.72323 6.56748 5.95834 9.92026 numMergedOcc 0
44 mol 24 unq 4 iso 0 dist 6.73939 4.50066 4.2121 11.9112 8.00171 7.88693 numMergedOcc 0
45 mol 24 unq 4 iso 1 dist 6.73939 11.9112 8.00171 4.50066 4.2121 7.88693 numMergedOcc 0
46 mol 24 unq 5 iso 0 dist 6.73939 4.50066 4.2121 5.11617 6.72323 6.16544 numMergedOcc 0
47 mol 24 unq 5 iso 1 dist 6.73939 5.11617 6.72323 4.50066 4.2121 6.16544 numMergedOcc 0
48 mol 24 unq 5 iso 0 dist 6.73939 11.9112 8.00171 5.11617 6.72323 10.2653 numMergedOcc 0
49 mol 24 unq 5 iso 1 dist 6.73939 5.11617 6.72323 11.9112 8.00171 10.2653 numMergedOcc 0
50 mol 25 unq 0 iso 0 dist 8.87757 7.33728 6.25843 13.9331 8.88938 12.6805 numMergedOcc 0
51 mol 25 unq 0 iso 1 dist 8.87757 13.9331 8.88938 7.33728 6.25843 12.6805 numMergedOcc 0
52 mol 25 unq 1 iso 0 dist 8.50222 9.34396 6.25843 10.5328 8.88938 12.6805 numMergedOcc 0
53 mol 25 unq 1 iso 1 dist 8.50222 10.5328 8.88938 9.34396 6.25843 12.6805 numMergedOcc 0
54 mol 25 unq 2 iso 0 dist 7.55264 10.8498 6.25843 10.4337 8.88938 12.6805 numMergedOcc 0
55 mol 25 unq 2 iso 1 dist 7.55264 10.4337 8.88938 10.8498 6.25843 12.6805 numMergedOcc 0
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57 mol 92 unq 0 iso 1 dist 5.9465 9.52327 5.50508 8.70803 6.77241 6.2185 numMergedOcc 0
58 mol 92 unq 1 iso 0 dist 6.97962 8.87994 6.77241 11.641 5.50508 6.2185 numMergedOcc 0
59 mol 92 unq 1 iso 1 dist 6.97962 11.641 5.50508 8.87994 6.77241 6.2185 numMergedOcc 0
60 mol 92 unq 2 iso 0 dist 9.95342 7.52639 6.77241 7.34683 5.50508 6.2185 numMergedOcc 0
61 mol 92 unq 2 iso 1 dist 9.95342 7.34683 5.50508 7.52639 6.77241 6.2185 numMergedOcc 0
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63 mol 98 unq 0 iso 1 dist 6.7117 4.4057 6.88901 7.94178 7.36769 10.2754 numMergedOcc 0
64 mol 98 unq 1 iso 0 dist 4.47349 9.85543 7.36769 9.67482 6.88901 10.2754 numMergedOcc 0
65 mol 98 unq 1 iso 1 dist 4.47349 9.67482 6.88901 9.85543 7.36769 10.2754 numMergedOcc 0
66 mol 98 unq 2 iso 0 dist 5.65185 7.28361 7.36769 12.0974 6.88901 10.2754 numMergedOcc 0
67 mol 98 unq 2 iso 1 dist 5.65185 12.0974 6.88901 7.28361 7.36769 10.2754 numMergedOcc 0
68 mol 100 unq 0 iso 0 dist 7.80975 5.42531 9.5057 4.86592 5.75014 5.59227 numMergedOcc 0
69 mol 100 unq 0 iso 1 dist 7.80975 4.86592 5.75014 5.42531 9.5057 5.59227 numMergedOcc 0
70 mol 100 unq 1 iso 0 dist 7.10378 8.4128 9.5057 7.96533 5.75014 5.59227 numMergedOcc 0
71 mol 100 unq 1 iso 1 dist 7.10378 7.96533 5.75014 8.4128 9.5057 5.59227 numMergedOcc 0
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79 mol 141 unq 1 iso 1 dist 9.97343 10.1432 6.83404 6.91919 9.75059 11.0187 numMergedOcc 0
80 mol 141 unq 2 iso 0 dist 9.70413 10.3716 9.10042 7.87881 9.75059 4.72386 numMergedOcc 0
81 mol 141 unq 2 iso 1 dist 9.70413 7.87881 9.75059 10.3716 9.10042 4.72386 numMergedOcc 0
82 mol 141 unq 3 iso 0 dist 9.70413 10.3716 9.10042 7.27731 6.83404 13.0212 numMergedOcc 0
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84 mol 141 unq 3 iso 0 dist 9.70413 7.87881 9.75059 7.27731 6.83404 11.0187 numMergedOcc 0
85 mol 141 unq 3 iso 1 dist 9.70413 7.27731 6.83404 7.87881 9.75059 11.0187 numMergedOcc 0
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90 mol 156 unq 2 iso 0 dist 8.61587 5.81563 5.9976 5.52796 6.86566 4.40883 numMergedOcc 0
91 mol 156 unq 2 iso 1 dist 8.61587 5.52796 6.86566 5.81563 5.9976 4.40883 numMergedOcc 0
92 mol 156 unq 3 iso 0 dist 9.00416 10.8404 8.21184 5.18356 5.9976 6.12113 numMergedOcc 0
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95 mol 171 unq 0 iso 1 dist 9.61462 10.844 8.21618 11.5561 5.25109 3.98338 numMergedOcc 0
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97 mol 171 unq 1 iso 1 dist 6.64834 4.78075 5.25109 6.45673 7.22518 7.9115 numMergedOcc 0
98 mol 171 unq 2 iso 0 dist 5.93786 5.48551 7.22518 7.9651 5.25109 7.9115 numMergedOcc 0
99 mol 171 unq 2 iso 1 dist 5.93786 7.9651 5.25109 5.48551 7.22518 7.9115 numMergedOcc 0
100 mol 171 unq 3 iso 0 dist 8.24693 8.05069 7.22518 12.6853 5.25109 7.9115 numMergedOcc 0
101 mol 171 unq 3 iso 1 dist 8.24693 12.6853 5.25109 8.05069 7.22518 7.9115 numMergedOcc 0
102 mol 171 unq 4 iso 0 dist 7.36698 11.2785 7.22518 5.90026 5.25109 7.9115 numMergedOcc 0
103 mol 171 unq 4 iso 1 dist 7.36698 5.90026 5.25109 11.2785 7.22518 7.9115 numMergedOcc 0
104 mol 171 unq 5 iso 0 dist 8.1344 5.48551 7.58499 7.9651 8.21618 7.9115 numMergedOcc 0
105 mol 171 unq 5 iso 1 dist 8.1344 7.9651 8.21618 5.48551 7.58499 7.9115 numMergedOcc 0
106 mol 171 unq 6 iso 0 dist 6.71356 8.05069 7.58499 12.6853 8.21618 7.9115 numMergedOcc 0
107 mol 171 unq 6 iso 1 dist 6.71356 12.6853 8.21618 8.05069 7.58499 7.9115 numMergedOcc 0
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109 mol 181 unq 0 iso 1 dist 6.2479 8.04639 8.86197 4.43096 7.32087 9.87773 numMergedOcc 0
110 mol 181 unq 1 iso 0 dist 6.22122 6.06566 7.32087 13.0409 8.86197 9.87773 numMergedOcc 0
111 mol 181 unq 1 iso 1 dist 6.22122 13.0409 8.86197 6.06566 7.32087 9.87773 numMergedOcc 0
112 mol 181 unq 2 iso 0 dist 6.59025 7.81713 8.86197 7.16549 5.94379 11.5564 numMergedOcc 0
113 mol 181 unq 2 iso 1 dist 6.59025 7.16549 5.94379 7.81713 8.86197 11.5564 numMergedOcc 0
114 mol 181 unq 3 iso 0 dist 7.99195 12.2164 7.32087 5.77299 8.86197 9.87773 numMergedOcc 0
115 mol 181 unq 3 iso 1 dist 7.99195 5.77299 8.86197 12.2164 7.32087 9.87773 numMergedOcc 0
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117 mol 192 unq 0 iso 1 dist 8.77999 14.8459 9.36796 12.717 6.60053 4.20321 numMergedOcc 0
118 mol 232 unq 0 iso 0 dist 8.50102 6.2188 9.78181 12.3508 9.8664 16.4381 numMergedOcc 0
119 mol 232 unq 0 iso 1 dist 8.50102 12.3508 9.8664 6.2188 9.78181 16.4381 numMergedOcc 0
120 mol 232 unq 1 iso 0 dist 9.40808 12.5452 9.78181 8.80479 9.8664 16.4381 numMergedOcc 0
121 mol 232 unq 1 iso 1 dist 9.40808 8.80479 9.8664 12.5452 9.78181 16.4381 numMergedOcc 0
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123 mol 244 unq 0 iso 1 dist 5.50492 5.17744 6.22122 7.6169 7.95359 10.6423 numMergedOcc 0
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125 mol 274 unq 0 iso 1 dist 8.52587 16.3619 9.16942 6.20558 6.88827 11.6106 numMergedOcc 0
126 mol 274 unq 1 iso 0 dist 6.39866 6.16703 6.88827 5.64601 9.16942 11.6106 numMergedOcc 0
127 mol 274 unq 1 iso 1 dist 6.39866 5.64601 9.16942 6.16703 6.88827 11.6106 numMergedOcc 0
