0 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 13.3091 7.34143 9.162 10.6328 7.18176 5.93337 4.5482 numMergedOcc 0
1 mol 52 unq 0 iso 1 dist 7.68916 13.3091 7.34143 11.9986 9.80098 9.162 10.6328 7.18176 4.5482 5.93337 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 7.47417 8.90624 9.80098 13.0115 7.34143 9.162 10.4155 7.18176 5.93337 4.5482 numMergedOcc 0
3 mol 52 unq 1 iso 1 dist 7.47417 13.0115 7.34143 8.90624 9.80098 9.162 10.4155 7.18176 4.5482 5.93337 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 6.43082 6.83299 5.08001 5.59128 5.02241 6.91765 5.06052 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 7.51978 6.43082 6.83299 10.6355 9.5589 5.08001 5.59128 5.02241 5.06052 6.91765 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 7.51978 10.6355 9.5589 11.7347 8.10861 16.3192 5.59128 5.02241 6.91765 10.1332 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 7.51978 11.7347 8.10861 10.6355 9.5589 16.3192 5.59128 5.02241 10.1332 6.91765 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 11.7347 8.10861 14.2075 5.59128 5.02241 5.06052 10.1332 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 7.51978 11.7347 8.10861 6.43082 6.83299 14.2075 5.59128 5.02241 10.1332 5.06052 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 9.0406 7.32874 5.47421 12.9126 8.26899 5.98837 4.55117 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 8.52969 9.0406 7.32874 11.6772 6.81627 5.47421 12.9126 8.26899 4.55117 5.98837 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 8.52969 11.6772 6.81627 4.98107 9.55426 9.7274 12.9126 8.26899 5.98837 10.3782 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 8.52969 4.98107 9.55426 11.6772 6.81627 9.7274 12.9126 8.26899 10.3782 5.98837 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 8.52969 9.0406 7.32874 4.98107 9.55426 5.90225 12.9126 8.26899 4.55117 10.3782 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 8.52969 4.98107 9.55426 9.0406 7.32874 5.90225 12.9126 8.26899 10.3782 4.55117 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 11.7065 7.71095 10.0246 10.9894 6.71911 7.29033 5.33688 numMergedOcc 0
17 mol 59 unq 0 iso 1 dist 7.67586 11.7065 7.71095 5.03832 6.85766 10.0246 10.9894 6.71911 5.33688 7.29033 numMergedOcc 0
18 mol 59 unq 1 iso 0 dist 8.97292 7.2878 6.85766 14.1347 7.71095 10.0246 9.55542 6.71911 7.29033 5.33688 numMergedOcc 0
19 mol 59 unq 1 iso 1 dist 8.97292 14.1347 7.71095 7.2878 6.85766 10.0246 9.55542 6.71911 5.33688 7.29033 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 12.2879 7.47343 5.33144 10.6273 8.72704 7.2495 10.1589 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 10.6273 8.72704 10.1589 7.2495 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 10.2364 8.86688 9.71151 10.6273 8.72704 7.2495 15.9331 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 5.09688 10.2364 8.86688 9.65979 6.45675 9.71151 10.6273 8.72704 15.9331 7.2495 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 10.6273 8.72704 10.1589 15.9331 numMergedOcc 0
25 mol 100 unq 1 iso 1 dist 5.09688 10.2364 8.86688 12.2879 7.47343 10.1407 10.6273 8.72704 15.9331 10.1589 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 9.26343 13.666 6.45675 16.4386 7.47343 5.33144 11.6898 8.72704 7.2495 10.1589 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 11.6898 8.72704 10.1589 7.2495 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 9.26343 13.666 6.45675 15.5646 8.86688 9.71151 11.6898 8.72704 7.2495 15.9331 numMergedOcc 0
29 mol 100 unq 3 iso 1 dist 9.26343 15.5646 8.86688 13.666 6.45675 9.71151 11.6898 8.72704 15.9331 7.2495 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 11.6898 8.72704 10.1589 15.9331 numMergedOcc 0
31 mol 100 unq 3 iso 1 dist 9.26343 15.5646 8.86688 16.4386 7.47343 10.1407 11.6898 8.72704 15.9331 10.1589 numMergedOcc 0
32 mol 117 unq 0 iso 0 dist 9.41387 6.54872 9.84395 9.3855 7.90328 13.1058 6.69306 6.62561 11.3679 4.91401 numMergedOcc 0
33 mol 117 unq 0 iso 1 dist 9.41387 9.3855 7.90328 6.54872 9.84395 13.1058 6.69306 6.62561 4.91401 11.3679 numMergedOcc 0
34 mol 127 unq 0 iso 0 dist 9.79448 7.78467 8.14887 6.02237 9.30299 7.30196 11.8721 8.59981 14.9761 14.085 numMergedOcc 0
35 mol 127 unq 0 iso 1 dist 9.79448 6.02237 9.30299 7.78467 8.14887 7.30196 11.8721 8.59981 14.085 14.9761 numMergedOcc 0
36 mol 127 unq 1 iso 0 dist 9.79448 7.78467 8.14887 6.02237 9.30299 7.30196 11.5439 7.34519 7.41404 13.1312 numMergedOcc 0
37 mol 127 unq 1 iso 1 dist 9.79448 6.02237 9.30299 7.78467 8.14887 7.30196 11.5439 7.34519 13.1312 7.41404 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 12.6542 6.49416 5.00526 15.1358 8.6355 10.1448 5.41704 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 6.99089 12.6542 6.49416 10.1742 6.54501 5.00526 15.1358 8.6355 5.41704 10.1448 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 10.1323 7.652 7.42466 14.6248 9.31887 11.0415 5.0384 numMergedOcc 0
41 mol 175 unq 0 iso 1 dist 8.50904 10.1323 7.652 8.09861 9.0018 7.42466 14.6248 9.31887 5.0384 11.0415 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 7.04318 8.09861 5.6234 10.1323 9.92231 7.42466 6.61225 9.0664 5.28109 7.14477 numMergedOcc 0
43 mol 175 unq 1 iso 1 dist 7.04318 10.1323 9.92231 8.09861 5.6234 7.42466 6.61225 9.0664 7.14477 5.28109 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 14.3955 6.94688 6.25083 5.86342 numMergedOcc 0
45 mol 181 unq 0 iso 1 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 14.3955 6.94688 5.86342 6.25083 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 15.6271 6.71012 4.77278 9.14057 numMergedOcc 0
47 mol 181 unq 1 iso 1 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 15.6271 6.71012 9.14057 4.77278 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 14.3955 6.94688 6.25083 6.80228 numMergedOcc 0
49 mol 181 unq 2 iso 1 dist 9.25528 11.9545 9.15386 18.2027 9.1374 12.1628 14.3955 6.94688 6.80228 6.25083 numMergedOcc 0
50 mol 181 unq 3 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 15.6271 6.71012 4.77278 11.6919 numMergedOcc 0
51 mol 181 unq 3 iso 1 dist 9.25528 11.9545 9.15386 18.2027 9.1374 12.1628 15.6271 6.71012 11.6919 4.77278 numMergedOcc 0
52 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 14.3955 6.94688 5.86342 6.80228 numMergedOcc 0
53 mol 181 unq 2 iso 1 dist 9.25528 11.9545 9.15386 11.4901 5.98885 5.16002 14.3955 6.94688 6.80228 5.86342 numMergedOcc 0
54 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 15.6271 6.71012 9.14057 11.6919 numMergedOcc 0
55 mol 181 unq 3 iso 1 dist 9.25528 11.9545 9.15386 11.4901 5.98885 5.16002 15.6271 6.71012 11.6919 9.14057 numMergedOcc 0
56 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 7.58285 8.51516 10.8344 13.2566 5.90931 5.09262 12.9483 numMergedOcc 0
57 mol 204 unq 0 iso 1 dist 7.92766 7.58285 8.51516 14.0488 7.10633 10.8344 13.2566 5.90931 12.9483 5.09262 numMergedOcc 0
58 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 9.43922 7.26832 7.38516 7.13867 9.19704 8.66809 6.23291 numMergedOcc 0
59 mol 205 unq 0 iso 1 dist 7.36642 9.43922 7.26832 4.87114 6.03031 7.38516 7.13867 9.19704 6.23291 8.66809 numMergedOcc 0
60 mol 205 unq 1 iso 0 dist 7.36642 4.87114 6.03031 6.98312 7.80463 8.18714 7.13867 9.19704 8.66809 13.231 numMergedOcc 0
61 mol 205 unq 1 iso 1 dist 7.36642 6.98312 7.80463 4.87114 6.03031 8.18714 7.13867 9.19704 13.231 8.66809 numMergedOcc 0
62 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 6.98312 7.80463 13.8543 7.13867 9.19704 6.23291 13.231 numMergedOcc 0
63 mol 205 unq 1 iso 1 dist 7.36642 6.98312 7.80463 9.43922 7.26832 13.8543 7.13867 9.19704 13.231 6.23291 numMergedOcc 0
64 mol 214 unq 0 iso 0 dist 6.83122 9.3424 9.65138 12.2622 7.14453 9.10746 8.77336 6.97182 6.16485 5.33565 numMergedOcc 0
65 mol 214 unq 0 iso 1 dist 6.83122 12.2622 7.14453 9.3424 9.65138 9.10746 8.77336 6.97182 5.33565 6.16485 numMergedOcc 0
66 mol 214 unq 1 iso 0 dist 6.83122 9.3424 9.65138 12.2622 7.14453 9.10746 10.8541 6.1175 11.5712 5.06792 numMergedOcc 0
67 mol 214 unq 1 iso 1 dist 6.83122 12.2622 7.14453 9.3424 9.65138 9.10746 10.8541 6.1175 5.06792 11.5712 numMergedOcc 0
68 mol 214 unq 2 iso 0 dist 6.83122 9.3424 9.65138 6.75833 8.85478 4.40923 8.77336 6.97182 6.16485 8.47007 numMergedOcc 0
69 mol 214 unq 2 iso 1 dist 6.83122 6.75833 8.85478 9.3424 9.65138 4.40923 8.77336 6.97182 8.47007 6.16485 numMergedOcc 0
70 mol 214 unq 3 iso 0 dist 6.83122 9.3424 9.65138 6.75833 8.85478 4.40923 10.8541 6.1175 11.5712 12.8334 numMergedOcc 0
71 mol 214 unq 3 iso 1 dist 6.83122 6.75833 8.85478 9.3424 9.65138 4.40923 10.8541 6.1175 12.8334 11.5712 numMergedOcc 0
72 mol 214 unq 2 iso 0 dist 6.83122 12.2622 7.14453 6.75833 8.85478 11.3796 8.77336 6.97182 5.33565 8.47007 numMergedOcc 0
73 mol 214 unq 2 iso 1 dist 6.83122 6.75833 8.85478 12.2622 7.14453 11.3796 8.77336 6.97182 8.47007 5.33565 numMergedOcc 0
74 mol 214 unq 3 iso 0 dist 6.83122 12.2622 7.14453 6.75833 8.85478 11.3796 10.8541 6.1175 5.06792 12.8334 numMergedOcc 0
75 mol 214 unq 3 iso 1 dist 6.83122 6.75833 8.85478 12.2622 7.14453 11.3796 10.8541 6.1175 12.8334 5.06792 numMergedOcc 0
76 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 5.41675 6.61986 9.54151 11.3668 8.19953 8.64911 10.7113 numMergedOcc 0
77 mol 224 unq 0 iso 1 dist 7.69537 5.41675 6.61986 5.92906 9.40098 9.54151 11.3668 8.19953 10.7113 8.64911 numMergedOcc 0
78 mol 249 unq 0 iso 0 dist 6.42827 8.22485 7.57994 6.77698 6.18582 5.01979 5.63238 8.83735 5.23473 7.38675 numMergedOcc 0
79 mol 249 unq 0 iso 1 dist 6.42827 6.77698 6.18582 8.22485 7.57994 5.01979 5.63238 8.83735 7.38675 5.23473 numMergedOcc 0
80 mol 272 unq 0 iso 0 dist 7.66615 11.4664 9.97651 10.3544 8.46116 8.12676 6.68919 9.09992 10.841 5.63139 numMergedOcc 0
81 mol 272 unq 0 iso 1 dist 7.66615 10.3544 8.46116 11.4664 9.97651 8.12676 6.68919 9.09992 5.63139 10.841 numMergedOcc 0
82 mol 272 unq 1 iso 0 dist 7.66615 11.4664 9.97651 10.3544 8.46116 8.12676 8.13036 6.16449 4.72202 8.52877 numMergedOcc 0
83 mol 272 unq 1 iso 1 dist 7.66615 10.3544 8.46116 11.4664 9.97651 8.12676 8.13036 6.16449 8.52877 4.72202 numMergedOcc 0
