0 mol 0 unq 0 iso 0 dist 7.37981 12.7599 9.6994 13.3337 7.15528 7.19817 6.63977 7.40865 9.11323 9.46298 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.37981 13.3337 7.15528 12.7599 9.6994 7.19817 6.63977 7.40865 9.46298 9.11323 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 7.19621 9.95 9.6994 6.83587 7.15528 7.19817 4.76647 7.40865 9.11323 9.46298 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.19621 6.83587 7.15528 9.95 9.6994 7.19817 4.76647 7.40865 9.46298 9.11323 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 8.33883 5.38671 5.05803 5.45161 6.31718 6.92781 10.2885 6.93532 5.30082 10.4366 numMergedOcc 0
5 mol 16 unq 0 iso 1 dist 8.33883 5.45161 6.31718 5.38671 5.05803 6.92781 10.2885 6.93532 10.4366 5.30082 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 14.9821 8.60554 8.52463 12.3994 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 9.90845 9.89489 8.38394 9.59761 8.86116 6.44287 14.9821 8.60554 12.3994 8.52463 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 13.0288 8.44664 10.971 5.30734 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 9.90845 9.89489 8.38394 9.59761 8.86116 6.44287 13.0288 8.44664 5.30734 10.971 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 18.8056 9.44691 13.4893 12.505 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 9.90845 9.89489 8.38394 9.59761 8.86116 6.44287 18.8056 9.44691 12.505 13.4893 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 14.445 6.20293 8.13395 10.7304 8.95682 6.18002 8.38399 numMergedOcc 0
13 mol 43 unq 0 iso 1 dist 9.74445 14.445 6.20293 10.323 8.80331 8.13395 10.7304 8.95682 8.38399 6.18002 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 6.59893 11.9881 9.5589 10.3564 6.83299 5.08001 8.02105 7.21717 15.293 13.86 numMergedOcc 0
15 mol 54 unq 0 iso 1 dist 6.59893 10.3564 6.83299 11.9881 9.5589 5.08001 8.02105 7.21717 13.86 15.293 numMergedOcc 0
16 mol 54 unq 1 iso 0 dist 6.59893 11.9881 9.5589 12.4254 8.10861 16.3192 8.02105 7.21717 15.293 5.99981 numMergedOcc 0
17 mol 54 unq 1 iso 1 dist 6.59893 12.4254 8.10861 11.9881 9.5589 16.3192 8.02105 7.21717 5.99981 15.293 numMergedOcc 0
18 mol 54 unq 1 iso 0 dist 6.59893 10.3564 6.83299 12.4254 8.10861 14.2075 8.02105 7.21717 13.86 5.99981 numMergedOcc 0
19 mol 54 unq 1 iso 1 dist 6.59893 12.4254 8.10861 10.3564 6.83299 14.2075 8.02105 7.21717 5.99981 13.86 numMergedOcc 0
20 mol 54 unq 2 iso 0 dist 5.59773 13.9079 9.5589 10.4238 6.83299 5.08001 7.93241 7.21717 15.293 13.86 numMergedOcc 0
21 mol 54 unq 2 iso 1 dist 5.59773 10.4238 6.83299 13.9079 9.5589 5.08001 7.93241 7.21717 13.86 15.293 numMergedOcc 0
22 mol 54 unq 3 iso 0 dist 5.59773 13.9079 9.5589 10.1356 8.10861 16.3192 7.93241 7.21717 15.293 5.99981 numMergedOcc 0
23 mol 54 unq 3 iso 1 dist 5.59773 10.1356 8.10861 13.9079 9.5589 16.3192 7.93241 7.21717 5.99981 15.293 numMergedOcc 0
24 mol 54 unq 3 iso 0 dist 5.59773 10.4238 6.83299 10.1356 8.10861 14.2075 7.93241 7.21717 13.86 5.99981 numMergedOcc 0
25 mol 54 unq 3 iso 1 dist 5.59773 10.1356 8.10861 10.4238 6.83299 14.2075 7.93241 7.21717 5.99981 13.86 numMergedOcc 0
26 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 5.30842 9.21998 6.05545 9.97686 8.08618 6.90592 7.6021 numMergedOcc 0
27 mol 59 unq 0 iso 1 dist 6.48625 5.30842 9.21998 6.34264 7.17396 6.05545 9.97686 8.08618 7.6021 6.90592 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 5.2774 6.19304 5.4148 11.5412 9.24757 5.11416 6.56633 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 6.89722 5.2774 6.19304 10.4716 9.96396 5.4148 11.5412 9.24757 6.56633 5.11416 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 6.89722 10.4716 9.96396 13.9156 8.70481 14.9342 11.5412 9.24757 5.11416 15.3808 numMergedOcc 0
31 mol 73 unq 1 iso 1 dist 6.89722 13.9156 8.70481 10.4716 9.96396 14.9342 11.5412 9.24757 15.3808 5.11416 numMergedOcc 0
32 mol 73 unq 1 iso 0 dist 6.89722 5.2774 6.19304 13.9156 8.70481 13.3558 11.5412 9.24757 6.56633 15.3808 numMergedOcc 0
33 mol 73 unq 1 iso 1 dist 6.89722 13.9156 8.70481 5.2774 6.19304 13.3558 11.5412 9.24757 15.3808 6.56633 numMergedOcc 0
34 mol 73 unq 2 iso 0 dist 7.26679 8.31041 9.96396 5.44275 6.19304 5.4148 11.2253 9.24757 5.11416 6.56633 numMergedOcc 0
35 mol 73 unq 2 iso 1 dist 7.26679 5.44275 6.19304 8.31041 9.96396 5.4148 11.2253 9.24757 6.56633 5.11416 numMergedOcc 0
36 mol 73 unq 3 iso 0 dist 7.26679 8.31041 9.96396 11.2674 8.70481 14.9342 11.2253 9.24757 5.11416 15.3808 numMergedOcc 0
37 mol 73 unq 3 iso 1 dist 7.26679 11.2674 8.70481 8.31041 9.96396 14.9342 11.2253 9.24757 15.3808 5.11416 numMergedOcc 0
38 mol 73 unq 3 iso 0 dist 7.26679 5.44275 6.19304 11.2674 8.70481 13.3558 11.2253 9.24757 6.56633 15.3808 numMergedOcc 0
39 mol 73 unq 3 iso 1 dist 7.26679 11.2674 8.70481 5.44275 6.19304 13.3558 11.2253 9.24757 15.3808 6.56633 numMergedOcc 0
40 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 5.50764 6.82344 8.95922 9.52463 6.95572 9.50382 7.56363 numMergedOcc 0
41 mol 92 unq 0 iso 1 dist 4.98104 5.50764 6.82344 10.7572 7.4729 8.95922 9.52463 6.95572 7.56363 9.50382 numMergedOcc 0
42 mol 92 unq 1 iso 0 dist 4.98104 10.7572 7.4729 5.50764 6.82344 8.95922 6.07224 7.38677 12.7565 5.91004 numMergedOcc 0
43 mol 92 unq 1 iso 1 dist 4.98104 5.50764 6.82344 10.7572 7.4729 8.95922 6.07224 7.38677 5.91004 12.7565 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 7.30021 5.0966 7.44554 5.75141 8.94056 5.56175 9.69888 9.4013 5.71511 6.13574 numMergedOcc 0
45 mol 156 unq 0 iso 1 dist 7.30021 5.75141 8.94056 5.0966 7.44554 5.56175 9.69888 9.4013 6.13574 5.71511 numMergedOcc 0
46 mol 156 unq 1 iso 0 dist 7.30021 5.0966 7.44554 12.865 9.83699 8.38403 9.69888 9.4013 5.71511 5.80008 numMergedOcc 0
47 mol 156 unq 1 iso 1 dist 7.30021 12.865 9.83699 5.0966 7.44554 8.38403 9.69888 9.4013 5.80008 5.71511 numMergedOcc 0
48 mol 156 unq 1 iso 0 dist 7.30021 5.75141 8.94056 12.865 9.83699 11.2719 9.69888 9.4013 6.13574 5.80008 numMergedOcc 0
49 mol 156 unq 1 iso 1 dist 7.30021 12.865 9.83699 5.75141 8.94056 11.2719 9.69888 9.4013 5.80008 6.13574 numMergedOcc 0
50 mol 205 unq 0 iso 0 dist 8.43584 12.4616 9.61492 10.6123 7.45763 11.8283 5.42117 4.8668 9.13652 5.8535 numMergedOcc 0
51 mol 205 unq 0 iso 1 dist 8.43584 10.6123 7.45763 12.4616 9.61492 11.8283 5.42117 4.8668 5.8535 9.13652 numMergedOcc 0
52 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 4.28891 7.54212 6.8425 15.9714 9.07471 7.75466 13.3447 numMergedOcc 0
53 mol 222 unq 0 iso 1 dist 8.7347 4.28891 7.54212 8.81265 6.00706 6.8425 15.9714 9.07471 13.3447 7.75466 numMergedOcc 0
54 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 14.9329 7.22101 6.99063 16.3489 7.43071 6.00424 6.35849 numMergedOcc 0
55 mol 227 unq 0 iso 1 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 16.3489 7.43071 6.35849 6.00424 numMergedOcc 0
56 mol 227 unq 1 iso 0 dist 9.17826 16.2594 9.34734 14.9329 7.22101 6.99063 5.75236 5.41321 10.7656 10.9607 numMergedOcc 0
57 mol 227 unq 1 iso 1 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 5.75236 5.41321 10.9607 10.7656 numMergedOcc 0
58 mol 227 unq 2 iso 0 dist 9.17826 16.2594 9.34734 13.2783 8.65997 7.60506 16.3489 7.43071 6.00424 10.204 numMergedOcc 0
59 mol 227 unq 2 iso 1 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 16.3489 7.43071 10.204 6.00424 numMergedOcc 0
60 mol 227 unq 3 iso 0 dist 9.17826 16.2594 9.34734 13.2783 8.65997 7.60506 5.75236 5.41321 10.7656 9.72615 numMergedOcc 0
61 mol 227 unq 3 iso 1 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 5.75236 5.41321 9.72615 10.7656 numMergedOcc 0
62 mol 227 unq 4 iso 0 dist 9.17826 16.2594 9.34734 10.6504 7.56888 7.43198 16.3489 7.43071 6.00424 9.76735 numMergedOcc 0
63 mol 227 unq 4 iso 1 dist 9.17826 10.6504 7.56888 16.2594 9.34734 7.43198 16.3489 7.43071 9.76735 6.00424 numMergedOcc 0
64 mol 227 unq 5 iso 0 dist 9.17826 16.2594 9.34734 10.6504 7.56888 7.43198 5.75236 5.41321 10.7656 5.10635 numMergedOcc 0
65 mol 227 unq 5 iso 1 dist 9.17826 10.6504 7.56888 16.2594 9.34734 7.43198 5.75236 5.41321 5.10635 10.7656 numMergedOcc 0
66 mol 227 unq 6 iso 0 dist 9.17826 16.2594 9.34734 11.4528 7.55216 9.51866 16.3489 7.43071 6.00424 9.32448 numMergedOcc 0
67 mol 227 unq 6 iso 1 dist 9.17826 11.4528 7.55216 16.2594 9.34734 9.51866 16.3489 7.43071 9.32448 6.00424 numMergedOcc 0
68 mol 227 unq 7 iso 0 dist 9.17826 16.2594 9.34734 11.4528 7.55216 9.51866 5.75236 5.41321 10.7656 6.48027 numMergedOcc 0
69 mol 227 unq 7 iso 1 dist 9.17826 11.4528 7.55216 16.2594 9.34734 9.51866 5.75236 5.41321 6.48027 10.7656 numMergedOcc 0
70 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 16.3489 7.43071 6.35849 10.204 numMergedOcc 0
71 mol 227 unq 2 iso 1 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 16.3489 7.43071 10.204 6.35849 numMergedOcc 0
72 mol 227 unq 3 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 5.75236 5.41321 10.9607 9.72615 numMergedOcc 0
73 mol 227 unq 3 iso 1 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 5.75236 5.41321 9.72615 10.9607 numMergedOcc 0
74 mol 227 unq 4 iso 0 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 16.3489 7.43071 6.35849 9.76735 numMergedOcc 0
75 mol 227 unq 4 iso 1 dist 9.17826 10.6504 7.56888 14.9329 7.22101 10.8658 16.3489 7.43071 9.76735 6.35849 numMergedOcc 0
76 mol 227 unq 5 iso 0 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 5.75236 5.41321 10.9607 5.10635 numMergedOcc 0
77 mol 227 unq 5 iso 1 dist 9.17826 10.6504 7.56888 14.9329 7.22101 10.8658 5.75236 5.41321 5.10635 10.9607 numMergedOcc 0
78 mol 227 unq 6 iso 0 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 16.3489 7.43071 6.35849 9.32448 numMergedOcc 0
79 mol 227 unq 6 iso 1 dist 9.17826 11.4528 7.55216 14.9329 7.22101 12.4689 16.3489 7.43071 9.32448 6.35849 numMergedOcc 0
80 mol 227 unq 7 iso 0 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 5.75236 5.41321 10.9607 6.48027 numMergedOcc 0
81 mol 227 unq 7 iso 1 dist 9.17826 11.4528 7.55216 14.9329 7.22101 12.4689 5.75236 5.41321 6.48027 10.9607 numMergedOcc 0
82 mol 227 unq 4 iso 0 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 16.3489 7.43071 10.204 9.76735 numMergedOcc 0
83 mol 227 unq 4 iso 1 dist 9.17826 10.6504 7.56888 13.2783 8.65997 9.70012 16.3489 7.43071 9.76735 10.204 numMergedOcc 0
84 mol 227 unq 5 iso 0 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 5.75236 5.41321 9.72615 5.10635 numMergedOcc 0
85 mol 227 unq 5 iso 1 dist 9.17826 10.6504 7.56888 13.2783 8.65997 9.70012 5.75236 5.41321 5.10635 9.72615 numMergedOcc 0
86 mol 227 unq 6 iso 0 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 16.3489 7.43071 10.204 9.32448 numMergedOcc 0
87 mol 227 unq 6 iso 1 dist 9.17826 11.4528 7.55216 13.2783 8.65997 12.9332 16.3489 7.43071 9.32448 10.204 numMergedOcc 0
88 mol 227 unq 7 iso 0 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 5.75236 5.41321 9.72615 6.48027 numMergedOcc 0
89 mol 227 unq 7 iso 1 dist 9.17826 11.4528 7.55216 13.2783 8.65997 12.9332 5.75236 5.41321 6.48027 9.72615 numMergedOcc 0
90 mol 227 unq 6 iso 0 dist 9.17826 10.6504 7.56888 11.4528 7.55216 4.48529 16.3489 7.43071 9.76735 9.32448 numMergedOcc 0
91 mol 227 unq 6 iso 1 dist 9.17826 11.4528 7.55216 10.6504 7.56888 4.48529 16.3489 7.43071 9.32448 9.76735 numMergedOcc 0
92 mol 227 unq 7 iso 0 dist 9.17826 10.6504 7.56888 11.4528 7.55216 4.48529 5.75236 5.41321 5.10635 6.48027 numMergedOcc 0
93 mol 227 unq 7 iso 1 dist 9.17826 11.4528 7.55216 10.6504 7.56888 4.48529 5.75236 5.41321 6.48027 5.10635 numMergedOcc 0
94 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 10.2063 8.92474 8.62358 6.63685 6.30154 7.44558 10.9712 numMergedOcc 0
95 mol 234 unq 0 iso 1 dist 5.00515 10.2063 8.92474 5.16023 8.41436 8.62358 6.63685 6.30154 10.9712 7.44558 numMergedOcc 0
96 mol 234 unq 1 iso 0 dist 5.00515 5.16023 8.41436 10.2063 8.92474 8.62358 10.6768 7.32499 10.7902 4.4288 numMergedOcc 0
97 mol 234 unq 1 iso 1 dist 5.00515 10.2063 8.92474 5.16023 8.41436 8.62358 10.6768 7.32499 4.4288 10.7902 numMergedOcc 0
98 mol 249 unq 0 iso 0 dist 7.29898 6.6173 7.57994 8.95486 6.18582 5.01979 10.4369 5.48118 10.7772 7.04666 numMergedOcc 0
99 mol 249 unq 0 iso 1 dist 7.29898 8.95486 6.18582 6.6173 7.57994 5.01979 10.4369 5.48118 7.04666 10.7772 numMergedOcc 0
100 mol 249 unq 1 iso 0 dist 8.91685 5.25611 7.57994 9.66184 6.18582 5.01979 13.4788 5.48118 10.7772 7.04666 numMergedOcc 0
101 mol 249 unq 1 iso 1 dist 8.91685 9.66184 6.18582 5.25611 7.57994 5.01979 13.4788 5.48118 7.04666 10.7772 numMergedOcc 0
102 mol 274 unq 0 iso 0 dist 9.696 10.7962 7.56915 5.1874 8.49997 6.33073 14.679 9.85289 6.20558 11.4459 numMergedOcc 0
103 mol 274 unq 0 iso 1 dist 9.696 5.1874 8.49997 10.7962 7.56915 6.33073 14.679 9.85289 11.4459 6.20558 numMergedOcc 0
104 mol 282 unq 0 iso 0 dist 5.67266 9.63727 8.04483 4.58403 8.76532 10.0156 7.46507 9.0975 5.65568 8.12478 numMergedOcc 0
105 mol 282 unq 0 iso 1 dist 5.67266 4.58403 8.76532 9.63727 8.04483 10.0156 7.46507 9.0975 8.12478 5.65568 numMergedOcc 0
106 mol 282 unq 1 iso 0 dist 5.67266 9.63727 8.04483 5.04235 6.33524 5.39891 7.46507 9.0975 5.65568 5.0324 numMergedOcc 0
107 mol 282 unq 1 iso 1 dist 5.67266 5.04235 6.33524 9.63727 8.04483 5.39891 7.46507 9.0975 5.0324 5.65568 numMergedOcc 0
108 mol 282 unq 1 iso 0 dist 5.67266 4.58403 8.76532 5.04235 6.33524 4.66602 7.46507 9.0975 8.12478 5.0324 numMergedOcc 0
109 mol 282 unq 1 iso 1 dist 5.67266 5.04235 6.33524 4.58403 8.76532 4.66602 7.46507 9.0975 5.0324 8.12478 numMergedOcc 0
110 mol 282 unq 2 iso 0 dist 5.80981 9.60898 8.04483 10.5698 8.76532 10.0156 7.79565 9.0975 5.65568 8.12478 numMergedOcc 0
111 mol 282 unq 2 iso 1 dist 5.80981 10.5698 8.76532 9.60898 8.04483 10.0156 7.79565 9.0975 8.12478 5.65568 numMergedOcc 0
112 mol 282 unq 3 iso 0 dist 5.80981 9.60898 8.04483 8.37652 6.33524 5.39891 7.79565 9.0975 5.65568 5.0324 numMergedOcc 0
113 mol 282 unq 3 iso 1 dist 5.80981 8.37652 6.33524 9.60898 8.04483 5.39891 7.79565 9.0975 5.0324 5.65568 numMergedOcc 0
114 mol 282 unq 3 iso 0 dist 5.80981 10.5698 8.76532 8.37652 6.33524 4.66602 7.79565 9.0975 8.12478 5.0324 numMergedOcc 0
115 mol 282 unq 3 iso 1 dist 5.80981 8.37652 6.33524 10.5698 8.76532 4.66602 7.79565 9.0975 5.0324 8.12478 numMergedOcc 0
116 mol 282 unq 4 iso 0 dist 9.63346 4.85461 8.04483 13.108 8.76532 10.0156 10.4926 9.0975 5.65568 8.12478 numMergedOcc 0
117 mol 282 unq 4 iso 1 dist 9.63346 13.108 8.76532 4.85461 8.04483 10.0156 10.4926 9.0975 8.12478 5.65568 numMergedOcc 0
118 mol 282 unq 5 iso 0 dist 9.63346 4.85461 8.04483 8.85797 6.33524 5.39891 10.4926 9.0975 5.65568 5.0324 numMergedOcc 0
119 mol 282 unq 5 iso 1 dist 9.63346 8.85797 6.33524 4.85461 8.04483 5.39891 10.4926 9.0975 5.0324 5.65568 numMergedOcc 0
120 mol 282 unq 5 iso 0 dist 9.63346 13.108 8.76532 8.85797 6.33524 4.66602 10.4926 9.0975 8.12478 5.0324 numMergedOcc 0
121 mol 282 unq 5 iso 1 dist 9.63346 8.85797 6.33524 13.108 8.76532 4.66602 10.4926 9.0975 5.0324 8.12478 numMergedOcc 0
