0 mol 10 unq 0 iso 0 dist 9.88507 11.04 5.59965 9.00506 7.8329 9.76721 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.3794 7.49229 6.03257 10.0572 6.31608 11.6414 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 5.74567 4.47542 7.92012 5.56803 5.16502 6.43075 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 5.74567 4.47542 7.92012 11.6967 8.26398 11.3153 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.50475 12.3426 8.29857 6.25072 6.28603 6.17529 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.50475 12.3426 8.29857 3.72926 8.80303 9.78584 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.50475 12.3426 8.29857 8.48678 7.11491 11.505 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 7.66163 11.2238 8.29857 6.64874 6.28603 6.17529 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 7.66163 11.2238 8.29857 5.68077 8.80303 9.78584 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 7.66163 11.2238 8.29857 3.85292 7.11491 11.505 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 9.48288 15.6905 8.29857 10.6872 6.28603 6.17529 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 9.48288 15.6905 8.29857 9.24728 8.80303 9.78584 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 9.48288 15.6905 8.29857 6.44604 7.11491 11.505 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 7.1796 11.0606 8.19993 6.42565 5.73454 6.30002 numMergedOcc 0
14 mol 48 unq 10 iso 0 dist 7.1796 11.0606 8.19993 5.7824 8.2012 9.72383 numMergedOcc 0
15 mol 48 unq 11 iso 0 dist 7.1796 11.0606 8.19993 3.72746 7.1829 11.5388 numMergedOcc 0
16 mol 48 unq 12 iso 0 dist 9.16212 15.6648 8.19993 10.5404 5.73454 6.30002 numMergedOcc 0
17 mol 48 unq 13 iso 0 dist 9.16212 15.6648 8.19993 9.35478 8.2012 9.72383 numMergedOcc 0
18 mol 48 unq 14 iso 0 dist 9.16212 15.6648 8.19993 6.4561 7.1829 11.5388 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 5.33546 9.40625 9.78384 4.13187 6.86517 5.84075 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 5.72627 4.39227 8.03296 4.15002 6.2576 6.07693 numMergedOcc 0
21 mol 79 unq 2 iso 0 dist 5.72627 8.32896 9.26979 4.15002 6.2576 5.25584 numMergedOcc 0
22 mol 79 unq 3 iso 0 dist 7.68741 4.39227 5.82754 4.15002 8.96069 6.07693 numMergedOcc 0
23 mol 79 unq 4 iso 0 dist 7.68741 8.32896 9.05679 4.15002 8.96069 5.25584 numMergedOcc 0
24 mol 79 unq 5 iso 0 dist 9.76351 16.5814 9.78384 4.15002 7.56495 13.2204 numMergedOcc 0
25 mol 79 unq 6 iso 0 dist 9.76351 16.5814 9.78384 9.36535 7.63923 10.8598 numMergedOcc 0
26 mol 79 unq 7 iso 0 dist 9.76351 16.5814 9.78384 9.33609 8.23095 8.81685 numMergedOcc 0
27 mol 79 unq 8 iso 0 dist 9.76351 4.39227 8.87742 4.15002 7.56495 6.07693 numMergedOcc 0
28 mol 79 unq 9 iso 0 dist 9.76351 4.39227 8.87742 9.36535 7.63923 10.8556 numMergedOcc 0
29 mol 79 unq 10 iso 0 dist 9.76351 4.39227 8.87742 9.33609 8.23095 6.94036 numMergedOcc 0
30 mol 79 unq 11 iso 0 dist 9.76351 8.32896 4.93468 4.15002 7.56495 5.25584 numMergedOcc 0
31 mol 79 unq 12 iso 0 dist 9.76351 8.32896 4.93468 9.36535 7.63923 5.79629 numMergedOcc 0
32 mol 79 unq 13 iso 0 dist 9.76351 8.32896 4.93468 9.33609 8.23095 3.90527 numMergedOcc 0
33 mol 93 unq 0 iso 0 dist 9.52206 7.00155 8.89417 11.0847 7.83506 5.90646 numMergedOcc 0
34 mol 93 unq 1 iso 0 dist 9.52206 9.45154 9.95255 11.0847 7.83506 12.949 numMergedOcc 0
35 mol 93 unq 2 iso 0 dist 8.69945 14.3423 8.89417 15.9 7.83506 5.90646 numMergedOcc 0
36 mol 93 unq 3 iso 0 dist 8.69945 8.76259 9.95255 15.9 7.83506 12.949 numMergedOcc 0
37 mol 98 unq 0 iso 0 dist 7.67564 12.9271 7.14031 13.2666 7.54574 10.256 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 8.60103 12.2431 7.14031 8.734 7.54574 10.256 numMergedOcc 0
39 mol 116 unq 0 iso 0 dist 8.3971 10.5909 8.38606 10.2914 8.58308 4.13755 numMergedOcc 0
40 mol 116 unq 1 iso 0 dist 6.74026 6.2875 8.38606 5.94177 8.58308 4.13755 numMergedOcc 0
41 mol 129 unq 0 iso 0 dist 6.52844 7.72162 9.73158 4.39633 8.98175 9.06432 numMergedOcc 0
42 mol 129 unq 1 iso 0 dist 6.52844 7.95267 7.59327 4.39633 8.98175 11.2951 numMergedOcc 0
43 mol 131 unq 0 iso 0 dist 9.75061 8.25083 5.87084 3.82317 7.84546 4.60864 numMergedOcc 0
44 mol 141 unq 0 iso 0 dist 8.81111 11.3783 6.75376 15.2238 8.40695 5.59893 numMergedOcc 0
45 mol 141 unq 1 iso 0 dist 8.81111 11.3783 6.75376 12.6506 9.35867 3.89483 numMergedOcc 0
46 mol 141 unq 2 iso 0 dist 5.66405 11.3783 9.10042 12.6506 9.38036 3.89483 numMergedOcc 0
47 mol 141 unq 3 iso 0 dist 5.66405 11.1002 9.75059 12.6506 9.38036 4.1436 numMergedOcc 0
48 mol 141 unq 4 iso 0 dist 5.66405 5.63251 6.83404 12.6506 9.38036 12.6017 numMergedOcc 0
49 mol 186 unq 0 iso 0 dist 8.53237 4.93748 6.21159 5.28021 5.25762 5.39534 numMergedOcc 0
50 mol 186 unq 1 iso 0 dist 4.65126 4.78938 6.21159 3.87593 5.25762 5.39534 numMergedOcc 0
51 mol 249 unq 0 iso 0 dist 9.58168 9.38829 5.9627 5.33399 8.76518 11.2713 numMergedOcc 0
52 mol 250 unq 0 iso 0 dist 5.92578 8.13148 9.70149 7.35853 9.25035 4.14699 numMergedOcc 0
53 mol 266 unq 0 iso 0 dist 9.34312 14.8724 7.00243 16.7215 7.63543 4.72338 numMergedOcc 0
54 mol 266 unq 1 iso 0 dist 7.53905 5.01805 7.00243 3.90822 7.63543 4.72338 numMergedOcc 0
55 mol 273 unq 0 iso 0 dist 9.16554 11.4694 7.16346 12.6217 9.81919 9.84575 numMergedOcc 0
56 mol 273 unq 1 iso 0 dist 9.65597 4.73332 7.16346 14.5301 9.81919 9.84575 numMergedOcc 0
