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 15 unq 1 iso 0 dist 5.19544 5.70754 5.69755 7.63656 7.07399 10.2811 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.93987 5.04673 4.30488 4.73713 8.18107 5.42067 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 5.93987 5.04673 4.30488 4.36394 9.8859 7.36435 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.7913 5.04673 5.09449 4.73713 5.9465 5.42067 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 7.7913 5.04673 5.09449 4.36394 6.97962 7.36435 numMergedOcc 0
8 mol 92 unq 4 iso 0 dist 7.7913 5.04673 5.09449 14.0487 9.95342 12.6375 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.48774 6.3323 4.0719 11.1132 6.60933 7.44558 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.37302 7.08403 3.52111 14.0364 9.66219 7.02367 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 9.66068 7.96893 6.29259 16.3524 8.8822 15.0024 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 8.03783 7.96893 8.17309 16.3524 9.66219 15.0024 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.72323 8.52036 12.7291 10.2385 6.16242 17.3734 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 6.72323 8.52036 12.7291 4.64588 5.87634 13.0458 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.78469 9.48934 5.16197 6.4437 9.87644 9.3273 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 8.01453 6.41183 5.16197 5.91683 9.87644 9.3273 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 9.80819 6.81449 10.5863 9.27313 6.22055 13.3633 numMergedOcc 0
18 mol 148 unq 1 iso 0 dist 9.80819 6.81449 10.5863 12.8573 8.18085 15.0329 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 9.81665 6.87593 10.5688 9.25213 6.14675 13.3193 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 9.81665 6.87593 10.5688 12.8265 7.94889 14.9106 numMergedOcc 0
21 mol 163 unq 0 iso 0 dist 9.62943 9.37245 9.10855 4.12904 9.07943 8.16252 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 8.90876 8.97414 8.8681 12.1014 7.44629 15.6838 numMergedOcc 0
23 mol 168 unq 1 iso 0 dist 8.90876 8.00063 5.71136 12.1014 7.44629 8.92592 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 8.95598 9.10344 5.69882 4.41193 6.42735 8.22001 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 8.62191 8.29256 9.07662 18.2283 9.68728 17.2641 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 8.62191 7.8274 7.37577 18.2283 9.68728 14.79 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 7.23557 8.93485 9.43113 4.2475 4.8668 9.31158 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 8.86587 5.66636 9.43113 6.8901 4.8668 9.31158 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 5.89818 4.90656 3.98604 4.82768 7.67576 5.1609 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 9.32543 4.90656 7.99695 4.82768 9.82371 5.1609 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 7.83422 9.67243 12.3471 9.60401 9.05071 12.5802 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 8.42502 9.33231 3.68966 10.0582 9.20822 10.9392 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 9.11072 9.82713 8.87313 9.85454 9.85289 11.8311 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 7.76945 9.1471 3.96271 5.25853 8.91712 9.18744 numMergedOcc 0
35 mol 287 unq 1 iso 0 dist 7.76945 9.1471 3.96271 7.19628 9.65934 13.0643 numMergedOcc 0
36 mol 287 unq 2 iso 0 dist 7.76945 7.84189 5.39801 5.25853 8.91712 10.1296 numMergedOcc 0
37 mol 287 unq 3 iso 0 dist 7.76945 7.84189 5.39801 7.19628 9.65934 5.30118 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 7.76945 9.1471 3.96271 5.25853 8.91712 9.18744 numMergedOcc 0
39 mol 288 unq 1 iso 0 dist 7.76945 9.1471 3.96271 7.19628 9.65934 13.0643 numMergedOcc 0
40 mol 288 unq 2 iso 0 dist 7.76945 7.84189 5.39801 5.25853 8.91712 10.1296 numMergedOcc 0
41 mol 288 unq 3 iso 0 dist 7.76945 7.84189 5.39801 7.19628 9.65934 5.30118 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 7.76945 9.1471 3.96271 5.25853 8.91712 9.18744 numMergedOcc 0
43 mol 289 unq 1 iso 0 dist 7.76945 9.1471 3.96271 7.19628 9.65934 13.0643 numMergedOcc 0
44 mol 289 unq 2 iso 0 dist 7.76945 7.84189 5.39801 5.25853 8.91712 10.1296 numMergedOcc 0
45 mol 289 unq 3 iso 0 dist 7.76945 7.84189 5.39801 7.19628 9.65934 5.30118 numMergedOcc 0
