0 mol 16 unq 0 iso 0 dist 8.46837 11.958 8.33883 11.8413 5.38671 5.05803 9.59856 5.45161 6.31718 6.92781 16.9822 10.2885 6.93532 5.30082 10.4366 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 8.46837 11.958 8.33883 9.59856 5.45161 6.31718 11.8413 5.38671 5.05803 6.92781 16.9822 10.2885 6.93532 10.4366 5.30082 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 15.7652 10.323 8.80331 15.8918 14.445 6.20293 8.13395 16.0184 10.7304 8.95682 6.18002 8.38399 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 15.7652 10.323 8.80331 8.13395 16.0184 10.7304 8.95682 8.38399 6.18002 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 9.17086 10.323 8.80331 10.615 14.445 6.20293 8.13395 11.9521 10.7304 8.95682 6.18002 8.38399 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 9.17086 10.323 8.80331 8.13395 11.9521 10.7304 8.95682 8.38399 6.18002 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 10.5929 10.4238 6.83299 5.08001 8.60653 7.93241 7.21717 15.293 13.86 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 14.4402 13.9079 9.5589 5.08001 8.60653 7.93241 7.21717 13.86 15.293 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 6.54183 10.1356 8.10861 16.3192 8.60653 7.93241 7.21717 15.293 5.99981 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 14.4402 13.9079 9.5589 16.3192 8.60653 7.93241 7.21717 5.99981 15.293 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 6.54183 10.1356 8.10861 14.2075 8.60653 7.93241 7.21717 13.86 5.99981 numMergedOcc 0
11 mol 54 unq 1 iso 1 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 10.5929 10.4238 6.83299 14.2075 8.60653 7.93241 7.21717 5.99981 13.86 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 8.124 5.2774 6.19304 5.4148 13.2119 11.5412 9.24757 5.11416 6.56633 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 10.1112 10.4716 9.96396 5.4148 13.2119 11.5412 9.24757 6.56633 5.11416 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 19.5696 13.9156 8.70481 14.9342 13.2119 11.5412 9.24757 5.11416 15.3808 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 10.1112 10.4716 9.96396 14.9342 13.2119 11.5412 9.24757 15.3808 5.11416 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 19.5696 13.9156 8.70481 13.3558 13.2119 11.5412 9.24757 6.56633 15.3808 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 8.124 5.2774 6.19304 13.3558 13.2119 11.5412 9.24757 15.3808 6.56633 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 8.124 5.44275 6.19304 5.4148 13.2119 11.2253 9.24757 5.11416 6.56633 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 10.1112 8.31041 9.96396 5.4148 13.2119 11.2253 9.24757 6.56633 5.11416 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 19.5696 11.2674 8.70481 14.9342 13.2119 11.2253 9.24757 5.11416 15.3808 numMergedOcc 0
21 mol 73 unq 3 iso 1 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 10.1112 8.31041 9.96396 14.9342 13.2119 11.2253 9.24757 15.3808 5.11416 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 19.5696 11.2674 8.70481 13.3558 13.2119 11.2253 9.24757 6.56633 15.3808 numMergedOcc 0
23 mol 73 unq 3 iso 1 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 8.124 5.44275 6.19304 13.3558 13.2119 11.2253 9.24757 15.3808 6.56633 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 10.9082 5.44275 6.19304 5.4148 14.1293 11.2253 9.24757 5.11416 6.56633 numMergedOcc 0
25 mol 73 unq 4 iso 1 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 11.0108 8.31041 9.96396 5.4148 14.1293 11.2253 9.24757 6.56633 5.11416 numMergedOcc 0
26 mol 73 unq 5 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 8.16299 11.2674 8.70481 14.9342 14.1293 11.2253 9.24757 5.11416 15.3808 numMergedOcc 0
27 mol 73 unq 5 iso 1 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 11.0108 8.31041 9.96396 14.9342 14.1293 11.2253 9.24757 15.3808 5.11416 numMergedOcc 0
28 mol 73 unq 5 iso 0 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 8.16299 11.2674 8.70481 13.3558 14.1293 11.2253 9.24757 6.56633 15.3808 numMergedOcc 0
29 mol 73 unq 5 iso 1 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 10.9082 5.44275 6.19304 13.3558 14.1293 11.2253 9.24757 15.3808 6.56633 numMergedOcc 0
30 mol 73 unq 6 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 11.801 5.2774 6.19304 5.4148 17.6925 11.5412 9.24757 5.11416 6.56633 numMergedOcc 0
31 mol 73 unq 6 iso 1 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 16.3948 10.4716 9.96396 5.4148 17.6925 11.5412 9.24757 6.56633 5.11416 numMergedOcc 0
32 mol 73 unq 7 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 12.2721 13.9156 8.70481 14.9342 17.6925 11.5412 9.24757 5.11416 15.3808 numMergedOcc 0
33 mol 73 unq 7 iso 1 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 16.3948 10.4716 9.96396 14.9342 17.6925 11.5412 9.24757 15.3808 5.11416 numMergedOcc 0
34 mol 73 unq 7 iso 0 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 12.2721 13.9156 8.70481 13.3558 17.6925 11.5412 9.24757 6.56633 15.3808 numMergedOcc 0
35 mol 73 unq 7 iso 1 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 11.801 5.2774 6.19304 13.3558 17.6925 11.5412 9.24757 15.3808 6.56633 numMergedOcc 0
36 mol 73 unq 8 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 11.801 5.44275 6.19304 5.4148 17.6925 11.2253 9.24757 5.11416 6.56633 numMergedOcc 0
37 mol 73 unq 8 iso 1 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 16.3948 8.31041 9.96396 5.4148 17.6925 11.2253 9.24757 6.56633 5.11416 numMergedOcc 0
38 mol 73 unq 9 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 12.2721 11.2674 8.70481 14.9342 17.6925 11.2253 9.24757 5.11416 15.3808 numMergedOcc 0
39 mol 73 unq 9 iso 1 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 16.3948 8.31041 9.96396 14.9342 17.6925 11.2253 9.24757 15.3808 5.11416 numMergedOcc 0
40 mol 73 unq 9 iso 0 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 12.2721 11.2674 8.70481 13.3558 17.6925 11.2253 9.24757 6.56633 15.3808 numMergedOcc 0
41 mol 73 unq 9 iso 1 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 11.801 5.44275 6.19304 13.3558 17.6925 11.2253 9.24757 15.3808 6.56633 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 7.11647 5.75141 8.94056 5.56175 10.6749 9.69888 9.4013 5.71511 6.13574 numMergedOcc 0
43 mol 156 unq 0 iso 1 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 9.19499 5.0966 7.44554 5.56175 10.6749 9.69888 9.4013 6.13574 5.71511 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 13.581 12.865 9.83699 8.38403 10.6749 9.69888 9.4013 5.71511 5.80008 numMergedOcc 0
45 mol 156 unq 1 iso 1 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 9.19499 5.0966 7.44554 8.38403 10.6749 9.69888 9.4013 5.80008 5.71511 numMergedOcc 0
46 mol 156 unq 1 iso 0 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 13.581 12.865 9.83699 11.2719 10.6749 9.69888 9.4013 6.13574 5.80008 numMergedOcc 0
47 mol 156 unq 1 iso 1 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 7.11647 5.75141 8.94056 11.2719 10.6749 9.69888 9.4013 5.80008 6.13574 numMergedOcc 0
48 mol 156 unq 2 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 13.465 5.75141 8.94056 5.56175 15.6807 9.69888 9.4013 5.71511 6.13574 numMergedOcc 0
49 mol 156 unq 2 iso 1 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 9.97623 5.0966 7.44554 5.56175 15.6807 9.69888 9.4013 6.13574 5.71511 numMergedOcc 0
50 mol 156 unq 3 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 16.944 12.865 9.83699 8.38403 15.6807 9.69888 9.4013 5.71511 5.80008 numMergedOcc 0
51 mol 156 unq 3 iso 1 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 9.97623 5.0966 7.44554 8.38403 15.6807 9.69888 9.4013 5.80008 5.71511 numMergedOcc 0
52 mol 156 unq 3 iso 0 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 16.944 12.865 9.83699 11.2719 15.6807 9.69888 9.4013 6.13574 5.80008 numMergedOcc 0
53 mol 156 unq 3 iso 1 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 13.465 5.75141 8.94056 11.2719 15.6807 9.69888 9.4013 5.80008 6.13574 numMergedOcc 0
54 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 8.7419 8.81265 6.00706 8.5834 4.28891 7.54212 6.8425 13.4892 15.9714 9.07471 7.75466 13.3447 numMergedOcc 0
55 mol 222 unq 0 iso 1 dist 7.10689 5.01062 8.7347 8.5834 4.28891 7.54212 8.7419 8.81265 6.00706 6.8425 13.4892 15.9714 9.07471 13.3447 7.75466 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 12.9898 14.9329 7.22101 6.99063 11.6367 16.3489 7.43071 6.00424 6.35849 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1483 16.2594 9.34734 6.99063 11.6367 16.3489 7.43071 6.35849 6.00424 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 12.9898 14.9329 7.22101 6.99063 6.65275 5.75236 5.41321 10.7656 10.9607 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1483 16.2594 9.34734 6.99063 6.65275 5.75236 5.41321 10.9607 10.7656 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 14.1659 13.2783 8.65997 7.60506 11.6367 16.3489 7.43071 6.00424 10.204 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 14.1483 16.2594 9.34734 7.60506 11.6367 16.3489 7.43071 10.204 6.00424 numMergedOcc 0
62 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 14.1659 13.2783 8.65997 7.60506 6.65275 5.75236 5.41321 10.7656 9.72615 numMergedOcc 0
63 mol 227 unq 3 iso 1 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 14.1483 16.2594 9.34734 7.60506 6.65275 5.75236 5.41321 9.72615 10.7656 numMergedOcc 0
64 mol 227 unq 4 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 9.8971 10.6504 7.56888 7.43198 11.6367 16.3489 7.43071 6.00424 9.76735 numMergedOcc 0
65 mol 227 unq 4 iso 1 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1483 16.2594 9.34734 7.43198 11.6367 16.3489 7.43071 9.76735 6.00424 numMergedOcc 0
66 mol 227 unq 5 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 9.8971 10.6504 7.56888 7.43198 6.65275 5.75236 5.41321 10.7656 5.10635 numMergedOcc 0
67 mol 227 unq 5 iso 1 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1483 16.2594 9.34734 7.43198 6.65275 5.75236 5.41321 5.10635 10.7656 numMergedOcc 0
68 mol 227 unq 6 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 7.71761 11.4528 7.55216 9.51866 11.6367 16.3489 7.43071 6.00424 9.32448 numMergedOcc 0
69 mol 227 unq 6 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1483 16.2594 9.34734 9.51866 11.6367 16.3489 7.43071 9.32448 6.00424 numMergedOcc 0
70 mol 227 unq 7 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 7.71761 11.4528 7.55216 9.51866 6.65275 5.75236 5.41321 10.7656 6.48027 numMergedOcc 0
71 mol 227 unq 7 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1483 16.2594 9.34734 9.51866 6.65275 5.75236 5.41321 6.48027 10.7656 numMergedOcc 0
72 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1659 13.2783 8.65997 5.22356 11.6367 16.3489 7.43071 6.35849 10.204 numMergedOcc 0
73 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 12.9898 14.9329 7.22101 5.22356 11.6367 16.3489 7.43071 10.204 6.35849 numMergedOcc 0
74 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1659 13.2783 8.65997 5.22356 6.65275 5.75236 5.41321 10.9607 9.72615 numMergedOcc 0
75 mol 227 unq 3 iso 1 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 12.9898 14.9329 7.22101 5.22356 6.65275 5.75236 5.41321 9.72615 10.9607 numMergedOcc 0
76 mol 227 unq 4 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 9.8971 10.6504 7.56888 10.8658 11.6367 16.3489 7.43071 6.35849 9.76735 numMergedOcc 0
77 mol 227 unq 4 iso 1 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 12.9898 14.9329 7.22101 10.8658 11.6367 16.3489 7.43071 9.76735 6.35849 numMergedOcc 0
78 mol 227 unq 5 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 9.8971 10.6504 7.56888 10.8658 6.65275 5.75236 5.41321 10.9607 5.10635 numMergedOcc 0
79 mol 227 unq 5 iso 1 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 12.9898 14.9329 7.22101 10.8658 6.65275 5.75236 5.41321 5.10635 10.9607 numMergedOcc 0
80 mol 227 unq 6 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 7.71761 11.4528 7.55216 12.4689 11.6367 16.3489 7.43071 6.35849 9.32448 numMergedOcc 0
81 mol 227 unq 6 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 12.9898 14.9329 7.22101 12.4689 11.6367 16.3489 7.43071 9.32448 6.35849 numMergedOcc 0
82 mol 227 unq 7 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 7.71761 11.4528 7.55216 12.4689 6.65275 5.75236 5.41321 10.9607 6.48027 numMergedOcc 0
83 mol 227 unq 7 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 12.9898 14.9329 7.22101 12.4689 6.65275 5.75236 5.41321 6.48027 10.9607 numMergedOcc 0
84 mol 227 unq 4 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 9.8971 10.6504 7.56888 9.70012 11.6367 16.3489 7.43071 10.204 9.76735 numMergedOcc 0
85 mol 227 unq 4 iso 1 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1659 13.2783 8.65997 9.70012 11.6367 16.3489 7.43071 9.76735 10.204 numMergedOcc 0
86 mol 227 unq 5 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 9.8971 10.6504 7.56888 9.70012 6.65275 5.75236 5.41321 9.72615 5.10635 numMergedOcc 0
87 mol 227 unq 5 iso 1 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1659 13.2783 8.65997 9.70012 6.65275 5.75236 5.41321 5.10635 9.72615 numMergedOcc 0
88 mol 227 unq 6 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 7.71761 11.4528 7.55216 12.9332 11.6367 16.3489 7.43071 10.204 9.32448 numMergedOcc 0
89 mol 227 unq 6 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1659 13.2783 8.65997 12.9332 11.6367 16.3489 7.43071 9.32448 10.204 numMergedOcc 0
90 mol 227 unq 7 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 7.71761 11.4528 7.55216 12.9332 6.65275 5.75236 5.41321 9.72615 6.48027 numMergedOcc 0
91 mol 227 unq 7 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1659 13.2783 8.65997 12.9332 6.65275 5.75236 5.41321 6.48027 9.72615 numMergedOcc 0
92 mol 227 unq 6 iso 0 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 7.71761 11.4528 7.55216 4.48529 11.6367 16.3489 7.43071 9.76735 9.32448 numMergedOcc 0
93 mol 227 unq 6 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 9.8971 10.6504 7.56888 4.48529 11.6367 16.3489 7.43071 9.32448 9.76735 numMergedOcc 0
94 mol 227 unq 7 iso 0 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 7.71761 11.4528 7.55216 4.48529 6.65275 5.75236 5.41321 5.10635 6.48027 numMergedOcc 0
95 mol 227 unq 7 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 9.8971 10.6504 7.56888 4.48529 6.65275 5.75236 5.41321 6.48027 5.10635 numMergedOcc 0
96 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 10.291 6.6173 7.57994 12.7977 8.95486 6.18582 5.01979 13.1394 10.4369 5.48118 10.7772 7.04666 numMergedOcc 0
97 mol 249 unq 0 iso 1 dist 5.66519 8.68833 7.29898 12.7977 8.95486 6.18582 10.291 6.6173 7.57994 5.01979 13.1394 10.4369 5.48118 7.04666 10.7772 numMergedOcc 0
98 mol 249 unq 1 iso 0 dist 6.50067 8.68833 8.91685 10.291 5.25611 7.57994 12.7977 9.66184 6.18582 5.01979 13.1394 13.4788 5.48118 10.7772 7.04666 numMergedOcc 0
99 mol 249 unq 1 iso 1 dist 6.50067 8.68833 8.91685 12.7977 9.66184 6.18582 10.291 5.25611 7.57994 5.01979 13.1394 13.4788 5.48118 7.04666 10.7772 numMergedOcc 0
100 mol 274 unq 0 iso 0 dist 9.96645 6.04536 9.696 12.1604 10.7962 7.56915 11.4986 5.1874 8.49997 6.33073 12.6353 14.679 9.85289 6.20558 11.4459 numMergedOcc 0
101 mol 274 unq 0 iso 1 dist 9.96645 6.04536 9.696 11.4986 5.1874 8.49997 12.1604 10.7962 7.56915 6.33073 12.6353 14.679 9.85289 11.4459 6.20558 numMergedOcc 0
102 mol 274 unq 1 iso 0 dist 9.2447 6.12463 9.696 12.2117 10.7962 7.56915 10.1296 5.1874 8.49997 6.33073 15.8084 14.679 9.85289 6.20558 11.4459 numMergedOcc 0
103 mol 274 unq 1 iso 1 dist 9.2447 6.12463 9.696 10.1296 5.1874 8.49997 12.2117 10.7962 7.56915 6.33073 15.8084 14.679 9.85289 11.4459 6.20558 numMergedOcc 0
104 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 10.161 4.58403 8.76532 10.0156 12.5082 7.46507 9.0975 5.65568 8.12478 numMergedOcc 0
105 mol 282 unq 0 iso 1 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 12.7745 9.63727 8.04483 10.0156 12.5082 7.46507 9.0975 8.12478 5.65568 numMergedOcc 0
106 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 9.83042 5.04235 6.33524 5.39891 12.5082 7.46507 9.0975 5.65568 5.0324 numMergedOcc 0
107 mol 282 unq 1 iso 1 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 12.7745 9.63727 8.04483 5.39891 12.5082 7.46507 9.0975 5.0324 5.65568 numMergedOcc 0
108 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 9.83042 5.04235 6.33524 4.66602 12.5082 7.46507 9.0975 8.12478 5.0324 numMergedOcc 0
109 mol 282 unq 1 iso 1 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 10.161 4.58403 8.76532 4.66602 12.5082 7.46507 9.0975 5.0324 8.12478 numMergedOcc 0
110 mol 282 unq 2 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 10.161 10.5698 8.76532 10.0156 12.5082 7.79565 9.0975 5.65568 8.12478 numMergedOcc 0
111 mol 282 unq 2 iso 1 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 12.7745 9.60898 8.04483 10.0156 12.5082 7.79565 9.0975 8.12478 5.65568 numMergedOcc 0
112 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 9.83042 8.37652 6.33524 5.39891 12.5082 7.79565 9.0975 5.65568 5.0324 numMergedOcc 0
113 mol 282 unq 3 iso 1 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 12.7745 9.60898 8.04483 5.39891 12.5082 7.79565 9.0975 5.0324 5.65568 numMergedOcc 0
114 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 9.83042 8.37652 6.33524 4.66602 12.5082 7.79565 9.0975 8.12478 5.0324 numMergedOcc 0
115 mol 282 unq 3 iso 1 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 10.161 10.5698 8.76532 4.66602 12.5082 7.79565 9.0975 5.0324 8.12478 numMergedOcc 0
