0 mol 11 unq 0 iso 0 dist 9.52695 9.07476 6.76736 5.8961 5.96346 6.84216 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.78754 9.04534 6.51674 5.71129 6.35398 6.58046 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 5.19544 5.70754 5.69755 5.69927 5.89412 8.4014 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 7.69638 4.90216 3.68327 10.9658 10.436 8.30217 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.4486 8.48827 4.35598 7.17843 11.4999 7.91148 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 9.4486 7.14048 5.50339 7.17843 11.4999 6.59794 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 6.85867 9.40699 5.46401 12.0948 12.2282 7.74064 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.93987 5.04673 4.30488 4.73713 8.18107 5.42067 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 5.93987 5.04673 4.30488 4.36394 9.8859 7.36435 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 7.7913 5.04673 5.09449 4.73713 5.9465 5.42067 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 7.7913 5.04673 5.09449 4.36394 6.97962 7.36435 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.48774 6.3323 4.0719 11.1132 6.60933 7.44558 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 5.37302 7.08403 3.52111 14.0364 9.66219 7.02367 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 8.73484 8.03124 8.87094 6.81949 13.082 8.38358 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.72323 8.52036 12.7291 16.4238 21.8774 9.72387 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.30496 9.48934 8.79381 6.4437 11.9341 9.3273 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 6.78469 9.48934 5.16197 6.4437 9.87644 9.3273 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 8.01453 6.41183 5.16197 5.91683 9.87644 9.3273 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 9.41073 8.76449 10.1443 6.91778 10.3047 6.73617 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 9.41073 8.36182 11.2502 6.91778 10.3047 9.03544 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 9.62943 9.37245 9.10855 4.12904 9.07943 8.16252 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 8.90876 8.00063 5.71136 12.1014 7.44629 8.92592 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 8.95598 9.10344 5.69882 4.41193 6.42735 8.22001 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 7.23557 8.93485 9.43113 4.2475 4.8668 9.31158 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 8.86587 5.66636 9.43113 6.8901 4.8668 9.31158 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 9.26092 9.25184 11.0674 3.84723 11.18 6.85824 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 5.89818 4.90656 3.98604 4.82768 7.67576 5.1609 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 9.32543 4.90656 7.99695 4.82768 9.82371 5.1609 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 9.34735 8.71119 6.06804 11.8779 13.1856 9.19385 numMergedOcc 0
29 mol 253 unq 1 iso 0 dist 9.34735 8.71119 6.06804 15.4152 11.0244 9.1927 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.76945 9.1471 3.96271 5.25853 8.91712 9.18744 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 7.76945 7.84189 5.39801 7.19628 9.65934 5.30118 numMergedOcc 0
32 mol 287 unq 2 iso 0 dist 7.76945 7.84189 5.39801 11.7959 14.0537 8.98698 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.76945 9.1471 3.96271 5.25853 8.91712 9.18744 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 7.76945 7.84189 5.39801 7.19628 9.65934 5.30118 numMergedOcc 0
35 mol 288 unq 2 iso 0 dist 7.76945 7.84189 5.39801 11.7959 14.0537 8.98698 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 7.76945 9.1471 3.96271 5.25853 8.91712 9.18744 numMergedOcc 0
37 mol 289 unq 1 iso 0 dist 7.76945 7.84189 5.39801 7.19628 9.65934 5.30118 numMergedOcc 0
38 mol 289 unq 2 iso 0 dist 7.76945 7.84189 5.39801 11.7959 14.0537 8.98698 numMergedOcc 0
