0 mol 45 unq 0 iso 0 dist 6.99408 6.11102 9.3403 7.39653 8.13782 10.6095 8.26635 7.21995 5.05051 9.85038 numMergedOcc 0
1 mol 45 unq 0 iso 1 dist 9.3403 6.11102 6.99408 10.6095 8.13782 7.39653 5.05051 7.21995 8.26635 9.85038 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 6.99408 6.11102 9.3403 7.39653 8.13782 10.6095 13.4503 9.62637 10.6148 13.1805 numMergedOcc 0
3 mol 45 unq 1 iso 1 dist 9.3403 6.11102 6.99408 10.6095 8.13782 7.39653 10.6148 9.62637 13.4503 13.1805 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.40841 11.0466 7.58407 4.55117 8.80108 14.7581 7.12541 8.71468 11.387 10.8421 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 7.58407 11.0466 6.40841 14.7581 8.80108 4.55117 11.387 8.71468 7.12541 10.8421 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.40841 11.0466 7.58407 5.64209 6.50297 8.74789 7.12541 8.71468 11.387 11.3634 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 7.58407 11.0466 6.40841 8.74789 6.50297 5.64209 11.387 8.71468 7.12541 11.3634 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 6.40841 5.90225 6.31428 4.55117 8.80108 10.3782 7.12541 8.71468 5.74871 10.8421 numMergedOcc 0
9 mol 58 unq 2 iso 1 dist 6.31428 5.90225 6.40841 10.3782 8.80108 4.55117 5.74871 8.71468 7.12541 10.8421 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 6.40841 5.90225 6.31428 5.64209 6.50297 7.02095 7.12541 8.71468 5.74871 11.3634 numMergedOcc 0
11 mol 58 unq 3 iso 1 dist 6.31428 5.90225 6.40841 7.02095 6.50297 5.64209 5.74871 8.71468 7.12541 11.3634 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 8.63333 5.35073 8.89374 10.6476 6.96494 12.7331 10.2049 9.11258 5.49591 13.4366 numMergedOcc 0
13 mol 58 unq 4 iso 1 dist 8.89374 5.35073 8.63333 12.7331 6.96494 10.6476 5.49591 9.11258 10.2049 13.4366 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 8.63333 5.35073 8.89374 5.92889 7.01363 7.05413 10.2049 9.11258 5.49591 8.88332 numMergedOcc 0
15 mol 58 unq 5 iso 1 dist 8.89374 5.35073 8.63333 7.05413 7.01363 5.92889 5.49591 9.11258 10.2049 8.88332 numMergedOcc 0
16 mol 58 unq 6 iso 0 dist 8.63333 10.8153 6.46761 10.6476 6.96494 8.74789 10.2049 9.11258 5.85698 13.4366 numMergedOcc 0
17 mol 58 unq 6 iso 1 dist 6.46761 10.8153 8.63333 8.74789 6.96494 10.6476 5.85698 9.11258 10.2049 13.4366 numMergedOcc 0
18 mol 58 unq 7 iso 0 dist 8.63333 10.8153 6.46761 5.92889 7.01363 6.61756 10.2049 9.11258 5.85698 8.88332 numMergedOcc 0
19 mol 58 unq 7 iso 1 dist 6.46761 10.8153 8.63333 6.61756 7.01363 5.92889 5.85698 9.11258 10.2049 8.88332 numMergedOcc 0
20 mol 58 unq 8 iso 0 dist 8.63333 14.5953 9.73139 10.6476 6.96494 7.02095 10.2049 9.11258 12.2123 13.4366 numMergedOcc 0
21 mol 58 unq 8 iso 1 dist 9.73139 14.5953 8.63333 7.02095 6.96494 10.6476 12.2123 9.11258 10.2049 13.4366 numMergedOcc 0
22 mol 58 unq 9 iso 0 dist 8.63333 14.5953 9.73139 5.92889 7.01363 8.94672 10.2049 9.11258 12.2123 8.88332 numMergedOcc 0
23 mol 58 unq 9 iso 1 dist 9.73139 14.5953 8.63333 8.94672 7.01363 5.92889 12.2123 9.11258 10.2049 8.88332 numMergedOcc 0
24 mol 58 unq 6 iso 0 dist 8.89374 8.62958 6.46761 12.7331 6.96494 8.74789 5.49591 9.11258 5.85698 13.4366 numMergedOcc 0
25 mol 58 unq 6 iso 1 dist 6.46761 8.62958 8.89374 8.74789 6.96494 12.7331 5.85698 9.11258 5.49591 13.4366 numMergedOcc 0
26 mol 58 unq 7 iso 0 dist 8.89374 8.62958 6.46761 7.05413 7.01363 6.61756 5.49591 9.11258 5.85698 8.88332 numMergedOcc 0
27 mol 58 unq 7 iso 1 dist 6.46761 8.62958 8.89374 6.61756 7.01363 7.05413 5.85698 9.11258 5.49591 8.88332 numMergedOcc 0
28 mol 58 unq 8 iso 0 dist 8.89374 14.176 9.73139 12.7331 6.96494 7.02095 5.49591 9.11258 12.2123 13.4366 numMergedOcc 0
29 mol 58 unq 8 iso 1 dist 9.73139 14.176 8.89374 7.02095 6.96494 12.7331 12.2123 9.11258 5.49591 13.4366 numMergedOcc 0
30 mol 58 unq 9 iso 0 dist 8.89374 14.176 9.73139 7.05413 7.01363 8.94672 5.49591 9.11258 12.2123 8.88332 numMergedOcc 0
31 mol 58 unq 9 iso 1 dist 9.73139 14.176 8.89374 8.94672 7.01363 7.05413 12.2123 9.11258 5.49591 8.88332 numMergedOcc 0
32 mol 58 unq 8 iso 0 dist 6.46761 6.47414 9.73139 8.74789 6.96494 7.02095 5.85698 9.11258 12.2123 13.4366 numMergedOcc 0
33 mol 58 unq 8 iso 1 dist 9.73139 6.47414 6.46761 7.02095 6.96494 8.74789 12.2123 9.11258 5.85698 13.4366 numMergedOcc 0
34 mol 58 unq 9 iso 0 dist 6.46761 6.47414 9.73139 6.61756 7.01363 8.94672 5.85698 9.11258 12.2123 8.88332 numMergedOcc 0
35 mol 58 unq 9 iso 1 dist 9.73139 6.47414 6.46761 8.94672 7.01363 6.61756 12.2123 9.11258 5.85698 8.88332 numMergedOcc 0
36 mol 58 unq 2 iso 0 dist 7.58407 6.47414 6.31428 14.7581 8.80108 10.3782 11.387 8.71468 5.74871 10.8421 numMergedOcc 0
37 mol 58 unq 2 iso 1 dist 6.31428 6.47414 7.58407 10.3782 8.80108 14.7581 5.74871 8.71468 11.387 10.8421 numMergedOcc 0
38 mol 58 unq 3 iso 0 dist 7.58407 6.47414 6.31428 8.74789 6.50297 7.02095 11.387 8.71468 5.74871 11.3634 numMergedOcc 0
39 mol 58 unq 3 iso 1 dist 6.31428 6.47414 7.58407 7.02095 6.50297 8.74789 5.74871 8.71468 11.387 11.3634 numMergedOcc 0
40 mol 64 unq 0 iso 0 dist 8.68586 10.6748 9.54144 5.35421 8.4517 5.68303 6.21578 9.32552 11.4485 6.90629 numMergedOcc 0
41 mol 64 unq 0 iso 1 dist 9.54144 10.6748 8.68586 5.68303 8.4517 5.35421 11.4485 9.32552 6.21578 6.90629 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 8.94837 7.93571 7.77454 5.9915 6.4218 10.7186 14.2198 6.93279 11.147 12.2578 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 7.77454 7.93571 8.94837 10.7186 6.4218 5.9915 11.147 6.93279 14.2198 12.2578 numMergedOcc 0
44 mol 140 unq 0 iso 0 dist 6.95323 6.43459 7.27371 6.69673 5.63811 8.17877 5.64422 8.60108 7.3833 4.35399 numMergedOcc 0
45 mol 140 unq 0 iso 1 dist 7.27371 6.43459 6.95323 8.17877 5.63811 6.69673 7.3833 8.60108 5.64422 4.35399 numMergedOcc 0
46 mol 140 unq 1 iso 0 dist 6.95323 6.43459 7.27371 5.58533 7.49546 4.6872 5.64422 8.60108 7.3833 9.73775 numMergedOcc 0
47 mol 140 unq 1 iso 1 dist 7.27371 6.43459 6.95323 4.6872 7.49546 5.58533 7.3833 8.60108 5.64422 9.73775 numMergedOcc 0
48 mol 141 unq 0 iso 0 dist 6.93652 5.67306 9.54444 7.57216 6.2135 6.96143 7.42649 5.26989 8.39549 8.7258 numMergedOcc 0
49 mol 141 unq 0 iso 1 dist 9.54444 5.67306 6.93652 6.96143 6.2135 7.57216 8.39549 5.26989 7.42649 8.7258 numMergedOcc 0
50 mol 141 unq 1 iso 0 dist 6.93652 5.67306 9.54444 7.57216 6.2135 6.96143 10.6531 7.76442 8.43221 6.67552 numMergedOcc 0
51 mol 141 unq 1 iso 1 dist 9.54444 5.67306 6.93652 6.96143 6.2135 7.57216 8.43221 7.76442 10.6531 6.67552 numMergedOcc 0
52 mol 155 unq 0 iso 0 dist 7.16254 5.71071 9.14392 4.9093 6.51096 6.3437 10.4923 9.0529 6.89781 7.6506 numMergedOcc 0
53 mol 155 unq 0 iso 1 dist 9.14392 5.71071 7.16254 6.3437 6.51096 4.9093 6.89781 9.0529 10.4923 7.6506 numMergedOcc 0
54 mol 155 unq 1 iso 0 dist 7.16254 5.71071 9.14392 10.7896 8.73171 9.99927 10.4923 9.0529 6.89781 6.00473 numMergedOcc 0
55 mol 155 unq 1 iso 1 dist 9.14392 5.71071 7.16254 9.99927 8.73171 10.7896 6.89781 9.0529 10.4923 6.00473 numMergedOcc 0
56 mol 155 unq 2 iso 0 dist 9.86313 5.71071 7.51198 13.5062 7.37901 8.27726 11.0769 9.80845 5.50031 5.50045 numMergedOcc 0
57 mol 155 unq 2 iso 1 dist 7.51198 5.71071 9.86313 8.27726 7.37901 13.5062 5.50031 9.80845 11.0769 5.50045 numMergedOcc 0
58 mol 155 unq 3 iso 0 dist 9.86313 5.71071 7.51198 13.5062 7.37901 8.27726 10.4923 7.55196 6.89781 6.40403 numMergedOcc 0
59 mol 155 unq 3 iso 1 dist 7.51198 5.71071 9.86313 8.27726 7.37901 13.5062 6.89781 7.55196 10.4923 6.40403 numMergedOcc 0
60 mol 173 unq 0 iso 0 dist 7.93331 4.83994 6.98095 13.3053 9.79554 8.94065 6.14414 8.41245 5.27321 12.6533 numMergedOcc 0
61 mol 173 unq 0 iso 1 dist 6.98095 4.83994 7.93331 8.94065 9.79554 13.3053 5.27321 8.41245 6.14414 12.6533 numMergedOcc 0
62 mol 173 unq 1 iso 0 dist 7.93331 4.83994 6.98095 13.3053 9.79554 8.94065 4.72839 6.64779 8.07089 15.1434 numMergedOcc 0
63 mol 173 unq 1 iso 1 dist 6.98095 4.83994 7.93331 8.94065 9.79554 13.3053 8.07089 6.64779 4.72839 15.1434 numMergedOcc 0
64 mol 173 unq 2 iso 0 dist 7.93331 5.16343 8.31897 13.3053 9.79554 14.2537 6.14414 8.41245 10.8609 12.6533 numMergedOcc 0
65 mol 173 unq 2 iso 1 dist 8.31897 5.16343 7.93331 14.2537 9.79554 13.3053 10.8609 8.41245 6.14414 12.6533 numMergedOcc 0
66 mol 173 unq 3 iso 0 dist 7.93331 5.16343 8.31897 13.3053 9.79554 14.2537 4.72839 6.64779 5.70743 15.1434 numMergedOcc 0
67 mol 173 unq 3 iso 1 dist 8.31897 5.16343 7.93331 14.2537 9.79554 13.3053 5.70743 6.64779 4.72839 15.1434 numMergedOcc 0
68 mol 173 unq 2 iso 0 dist 6.98095 8.17887 8.31897 8.94065 9.79554 14.2537 5.27321 8.41245 10.8609 12.6533 numMergedOcc 0
69 mol 173 unq 2 iso 1 dist 8.31897 8.17887 6.98095 14.2537 9.79554 8.94065 10.8609 8.41245 5.27321 12.6533 numMergedOcc 0
70 mol 173 unq 3 iso 0 dist 6.98095 8.17887 8.31897 8.94065 9.79554 14.2537 8.07089 6.64779 5.70743 15.1434 numMergedOcc 0
71 mol 173 unq 3 iso 1 dist 8.31897 8.17887 6.98095 14.2537 9.79554 8.94065 5.70743 6.64779 8.07089 15.1434 numMergedOcc 0
72 mol 175 unq 0 iso 0 dist 9.8589 7.42466 7.24908 11.0415 4.79852 5.0384 8.29015 5.4997 4.63177 4.30489 numMergedOcc 0
73 mol 175 unq 0 iso 1 dist 7.24908 7.42466 9.8589 5.0384 4.79852 11.0415 4.63177 5.4997 8.29015 4.30489 numMergedOcc 0
74 mol 175 unq 1 iso 0 dist 9.8589 7.42466 7.24908 11.0415 4.79852 5.0384 14.7282 6.99693 9.30597 4.57622 numMergedOcc 0
75 mol 175 unq 1 iso 1 dist 7.24908 7.42466 9.8589 5.0384 4.79852 11.0415 9.30597 6.99693 14.7282 4.57622 numMergedOcc 0
76 mol 194 unq 0 iso 0 dist 6.95408 8.2172 9.57538 7.11879 6.41318 8.89656 5.43725 9.86703 10.0597 12.2576 numMergedOcc 0
77 mol 194 unq 0 iso 1 dist 9.57538 8.2172 6.95408 8.89656 6.41318 7.11879 10.0597 9.86703 5.43725 12.2576 numMergedOcc 0
78 mol 194 unq 1 iso 0 dist 6.95408 10.5623 9.2285 7.11879 6.41318 7.8502 5.43725 9.86703 13.5246 12.2576 numMergedOcc 0
79 mol 194 unq 1 iso 1 dist 9.2285 10.5623 6.95408 7.8502 6.41318 7.11879 13.5246 9.86703 5.43725 12.2576 numMergedOcc 0
80 mol 194 unq 2 iso 0 dist 6.95408 11.7618 7.58278 7.11879 6.41318 7.82648 5.43725 9.86703 14.8824 12.2576 numMergedOcc 0
81 mol 194 unq 2 iso 1 dist 7.58278 11.7618 6.95408 7.82648 6.41318 7.11879 14.8824 9.86703 5.43725 12.2576 numMergedOcc 0
82 mol 194 unq 1 iso 0 dist 9.57538 4.53419 9.2285 8.89656 6.41318 7.8502 10.0597 9.86703 13.5246 12.2576 numMergedOcc 0
83 mol 194 unq 1 iso 1 dist 9.2285 4.53419 9.57538 7.8502 6.41318 8.89656 13.5246 9.86703 10.0597 12.2576 numMergedOcc 0
84 mol 194 unq 2 iso 0 dist 9.57538 8.12479 7.58278 8.89656 6.41318 7.82648 10.0597 9.86703 14.8824 12.2576 numMergedOcc 0
85 mol 194 unq 2 iso 1 dist 7.58278 8.12479 9.57538 7.82648 6.41318 8.89656 14.8824 9.86703 10.0597 12.2576 numMergedOcc 0
86 mol 194 unq 2 iso 0 dist 9.2285 4.40125 7.58278 7.8502 6.41318 7.82648 13.5246 9.86703 14.8824 12.2576 numMergedOcc 0
87 mol 194 unq 2 iso 1 dist 7.58278 4.40125 9.2285 7.82648 6.41318 7.8502 14.8824 9.86703 13.5246 12.2576 numMergedOcc 0
88 mol 227 unq 0 iso 0 dist 8.17891 5.22356 6.95902 13.3557 7.95168 8.8709 10.9607 7.57454 9.72615 9.75331 numMergedOcc 0
89 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 8.8709 7.95168 13.3557 9.72615 7.57454 10.9607 9.75331 numMergedOcc 0
90 mol 232 unq 0 iso 0 dist 7.07392 4.96364 9.62952 6.66754 9.86861 5.82592 6.2188 7.10413 6.09015 10.4271 numMergedOcc 0
91 mol 232 unq 0 iso 1 dist 9.62952 4.96364 7.07392 5.82592 9.86861 6.66754 6.09015 7.10413 6.2188 10.4271 numMergedOcc 0
92 mol 238 unq 0 iso 0 dist 8.14172 5.31152 6.77463 5.68826 6.00721 4.87097 12.2874 8.90076 10.4017 13.3255 numMergedOcc 0
93 mol 238 unq 0 iso 1 dist 6.77463 5.31152 8.14172 4.87097 6.00721 5.68826 10.4017 8.90076 12.2874 13.3255 numMergedOcc 0
94 mol 238 unq 1 iso 0 dist 8.14172 5.31152 6.77463 5.68826 6.00721 4.87097 7.11984 6.62002 7.95232 9.71156 numMergedOcc 0
95 mol 238 unq 1 iso 1 dist 6.77463 5.31152 8.14172 4.87097 6.00721 5.68826 7.95232 6.62002 7.11984 9.71156 numMergedOcc 0
