0 mol 7 unq 0 iso 0 dist 9.90117 6.96396 7.21217 6.22805 6.09254 7.10621 11.1727 5.07985 6.1206 7.12508 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.90117 6.96396 7.21217 6.22805 6.09254 7.10621 13.8869 6.83196 7.67927 11.143 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.88676 5.66097 5.84479 10.8592 5.35079 6.31718 12.8674 6.04677 8.43054 4.65873 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.88676 5.66097 5.84479 7.46752 6.53177 7.63133 12.8674 6.04677 8.43054 9.81307 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 5.86972 7.46414 9.23576 8.80956 7.35595 7.50293 4.74069 4.57886 7.26639 4.40004 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 5.86972 7.46414 9.23576 12.4417 8.59794 9.91611 4.74069 4.57886 7.26639 8.68364 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.59182 12.4009 8.21889 13.6568 5.5332 7.34473 17.2736 10.4255 6.29161 6.73011 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 8.59182 12.4009 8.21889 13.6568 5.5332 7.34473 18.3991 14.5244 7.86666 13.0886 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.24549 4.99061 6.49205 6.85677 5.19198 6.18601 10.7143 8.22696 8.95212 4.39676 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.07421 4.80675 6.29026 10.1938 11.5533 8.54584 8.85652 4.79473 5.51197 12.1739 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 7.07421 4.80675 6.29026 10.1938 11.5533 8.54584 9.31543 5.04019 6.69691 8.26896 numMergedOcc 0
11 mol 129 unq 2 iso 0 dist 7.07421 4.80675 6.29026 10.1938 11.5533 8.54584 12.172 10.1802 8.86944 5.63254 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 5.59682 6.62991 8.89982 11.2249 13.2491 8.56324 9.17216 9.0696 6.59889 5.39112 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 5.59682 6.62991 8.89982 11.2249 13.2491 8.56324 9.44172 9.83062 8.9192 4.84714 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 7.71277 7.17016 8.89982 13.9298 13.2491 8.56324 9.40483 9.0696 6.59889 5.39112 numMergedOcc 0
15 mol 152 unq 3 iso 0 dist 7.71277 7.17016 8.89982 13.9298 13.2491 8.56324 12.3659 9.83062 8.9192 4.84714 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 8.14441 13.6129 8.0974 18.3231 12.2822 6.69288 17.8568 9.80877 9.11204 8.44333 numMergedOcc 0
17 mol 178 unq 1 iso 0 dist 8.14441 13.6129 8.0974 19.4581 12.4338 6.43573 17.8568 9.80877 9.11204 6.8202 numMergedOcc 0
18 mol 178 unq 2 iso 0 dist 8.14441 13.6129 8.0974 17.5964 13.9722 7.17202 17.8568 9.80877 9.11204 14.9499 numMergedOcc 0
19 mol 178 unq 3 iso 0 dist 8.14441 13.6129 8.0974 17.9703 13.5599 8.81551 17.8568 9.80877 9.11204 14.2467 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 8.94671 4.85077 7.86625 12.503 5.40949 9.31746 8.8774 4.82437 9.56028 8.82964 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.81136 17.404 8.49704 18.7061 12.4611 9.65138 10.1284 4.112 7.46481 11.4955 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 9.81136 17.404 8.49704 17.5046 11.832 7.14453 10.1284 4.112 7.46481 8.459 numMergedOcc 0
23 mol 214 unq 2 iso 0 dist 9.81136 17.404 8.49704 18.1374 10.644 8.85478 10.1284 4.112 7.46481 11.1534 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.47122 15.4433 9.75313 13.3678 6.46679 6.61986 8.57781 3.56689 8.08349 5.13732 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 5.97988 6.70321 6.08709 11.2702 7.85135 6.61986 14.4359 11.4272 8.08349 5.13732 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 6.6537 4.55824 9.75313 7.04127 6.46679 6.61986 5.36326 3.56689 8.08349 5.13732 numMergedOcc 0
27 mol 224 unq 3 iso 0 dist 9.08719 4.55824 6.08709 7.04127 7.85135 6.61986 5.36326 11.4272 8.08349 5.13732 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 9.13126 5.52669 9.10613 6.73134 6.0258 8.04248 9.67162 4.8226 8.23087 4.66414 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 5.57184 7.01206 5.24313 13.8075 12.1448 7.31233 9.67281 12.4194 9.12776 10.3162 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 6.74214 6.3873 9.31417 7.98022 6.62361 5.72887 14.5078 13.338 9.72188 7.06793 numMergedOcc 0
31 mol 238 unq 2 iso 0 dist 5.33462 6.3873 5.56719 7.98022 5.96552 5.72887 14.5078 12.046 9.72188 7.06793 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 15.7201 7.55268 8.53687 18.4793 9.90573 9.07743 6.73882 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 8.73077 13.6207 6.77279 11.4871 5.71237 8.13497 18.4793 9.90573 9.07743 8.8603 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 8.73077 16.6797 9.58006 11.4871 5.71237 7.88519 18.1212 12.7528 9.63573 7.20604 numMergedOcc 0
35 mol 259 unq 3 iso 0 dist 8.73077 16.6797 9.58006 11.4871 5.71237 7.88519 18.4793 9.90573 7.66153 8.8603 numMergedOcc 0
36 mol 259 unq 4 iso 0 dist 8.73077 16.6797 9.58006 16.137 9.10984 7.84554 18.1212 12.7528 9.63573 5.05362 numMergedOcc 0
37 mol 259 unq 5 iso 0 dist 8.73077 16.6797 9.58006 16.137 9.10984 7.84554 18.4793 9.90573 7.66153 5.8801 numMergedOcc 0
38 mol 259 unq 6 iso 0 dist 8.73077 16.6797 9.58006 16.2919 11.8501 7.46176 18.1212 12.7528 9.63573 5.21606 numMergedOcc 0
39 mol 259 unq 7 iso 0 dist 8.73077 16.6797 9.58006 16.2919 11.8501 7.46176 18.4793 9.90573 7.66153 11.8896 numMergedOcc 0
40 mol 259 unq 8 iso 0 dist 8.73077 16.6797 9.58006 21.7522 13.9868 9.18903 18.1212 12.7528 9.63573 7.46841 numMergedOcc 0
41 mol 259 unq 9 iso 0 dist 8.73077 16.6797 9.58006 21.7522 13.9868 9.18903 18.4793 9.90573 7.66153 5.81576 numMergedOcc 0
42 mol 259 unq 10 iso 0 dist 6.76656 10.908 6.77279 14.2826 7.55268 8.53687 15.148 9.90573 9.07743 6.73882 numMergedOcc 0
43 mol 259 unq 11 iso 0 dist 6.76656 10.908 6.77279 6.96379 5.71237 8.13497 15.148 9.90573 9.07743 8.8603 numMergedOcc 0
44 mol 259 unq 12 iso 0 dist 6.76656 12.7595 9.58006 6.96379 5.71237 7.88519 13.0667 12.7528 9.63573 7.20604 numMergedOcc 0
45 mol 259 unq 13 iso 0 dist 6.76656 12.7595 9.58006 6.96379 5.71237 7.88519 15.148 9.90573 7.66153 8.8603 numMergedOcc 0
46 mol 259 unq 14 iso 0 dist 6.76656 12.7595 9.58006 11.7889 9.10984 7.84554 13.0667 12.7528 9.63573 5.05362 numMergedOcc 0
47 mol 259 unq 15 iso 0 dist 6.76656 12.7595 9.58006 11.7889 9.10984 7.84554 15.148 9.90573 7.66153 5.8801 numMergedOcc 0
48 mol 259 unq 16 iso 0 dist 6.76656 12.7595 9.58006 11.1532 11.8501 7.46176 13.0667 12.7528 9.63573 5.21606 numMergedOcc 0
49 mol 259 unq 17 iso 0 dist 6.76656 12.7595 9.58006 11.1532 11.8501 7.46176 15.148 9.90573 7.66153 11.8896 numMergedOcc 0
50 mol 259 unq 18 iso 0 dist 6.76656 12.7595 9.58006 17.4423 13.9868 9.18903 13.0667 12.7528 9.63573 7.46841 numMergedOcc 0
51 mol 259 unq 19 iso 0 dist 6.76656 12.7595 9.58006 17.4423 13.9868 9.18903 15.148 9.90573 7.66153 5.81576 numMergedOcc 0
52 mol 259 unq 20 iso 0 dist 9.45077 8.63445 7.93997 14.4933 14.8465 7.46176 13.113 7.06301 5.85442 10.067 numMergedOcc 0
53 mol 259 unq 21 iso 0 dist 9.45077 8.63445 7.93997 14.4933 14.8465 7.46176 13.7343 7.80863 6.95511 11.6988 numMergedOcc 0
54 mol 259 unq 22 iso 0 dist 4.55368 6.18571 7.93997 13.6279 14.8465 7.46176 8.40328 7.06301 5.85442 10.067 numMergedOcc 0
55 mol 259 unq 23 iso 0 dist 4.55368 6.18571 7.93997 13.6279 14.8465 7.46176 8.2518 7.80863 6.95511 11.6988 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 6.23539 7.44724 6.90434 14.2462 13.2927 9.7748 13.9062 8.51268 9.35539 11.4555 numMergedOcc 0
57 mol 277 unq 1 iso 0 dist 6.23539 7.44724 6.90434 14.2462 13.2927 9.7748 11.2458 13.3706 8.9682 17.6038 numMergedOcc 0
58 mol 277 unq 2 iso 0 dist 6.23539 7.44724 6.90434 14.2462 13.2927 9.7748 9.4543 12.1739 6.92711 14.772 numMergedOcc 0
59 mol 280 unq 0 iso 0 dist 7.3304 7.26698 8.85762 8.27417 4.95798 6.0664 11.3818 7.42656 6.86234 4.90315 numMergedOcc 0
