0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 5.94084 5.47769 6.58035 12.1189 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 5.94084 5.47769 12.1189 6.58035 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.46498 7.63133 5.32694 8.71745 5.74188 10.4155 5.94084 6.58035 5.47769 12.1189 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 5.46498 8.71745 5.74188 7.63133 5.32694 10.4155 5.94084 6.58035 12.1189 5.47769 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 5.46498 7.63133 5.32694 8.71745 5.74188 10.4155 6.73355 8.41862 13.0191 8.16785 numMergedOcc 0
5 mol 16 unq 2 iso 1 dist 5.46498 8.71745 5.74188 7.63133 5.32694 10.4155 6.73355 8.41862 8.16785 13.0191 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 8.71745 7.63133 10.4155 5.46498 5.74188 5.32694 6.73355 8.16785 13.0191 8.41862 numMergedOcc 0
7 mol 16 unq 3 iso 1 dist 8.71745 5.46498 5.74188 7.63133 10.4155 5.32694 6.73355 8.16785 8.41862 13.0191 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.864 7.07775 5.80928 5.5841 9.80108 9.58539 8.58657 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 7.20519 6.864 7.07775 4.54938 7.34551 5.80928 5.5841 9.80108 8.58657 9.58539 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 5.14627 6.20943 7.82528 10.2708 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 5.14627 6.20943 10.2708 7.82528 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 10.9543 8.78293 13.4721 12.6444 numMergedOcc 0
13 mol 19 unq 2 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 10.9543 8.78293 12.6444 13.4721 numMergedOcc 0
14 mol 19 unq 3 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 6.55187 8.23643 14.6255 8.73972 numMergedOcc 0
15 mol 19 unq 3 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 6.55187 8.23643 8.73972 14.6255 numMergedOcc 0
16 mol 19 unq 4 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.14627 7.82528 6.20943 10.2708 numMergedOcc 0
17 mol 19 unq 4 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.14627 7.82528 10.2708 6.20943 numMergedOcc 0
18 mol 19 unq 5 iso 0 dist 7.82074 8.4674 10.3915 4.54938 5.03957 7.67038 6.55187 8.73972 14.6255 8.23643 numMergedOcc 0
19 mol 19 unq 5 iso 1 dist 7.82074 4.54938 5.03957 8.4674 10.3915 7.67038 6.55187 8.73972 8.23643 14.6255 numMergedOcc 0
20 mol 19 unq 6 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 5.5841 8.58657 9.80108 9.58539 numMergedOcc 0
21 mol 19 unq 6 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 5.5841 8.58657 9.58539 9.80108 numMergedOcc 0
22 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 9.49077 9.83618 13.5377 13.7177 numMergedOcc 0
23 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 9.49077 9.83618 13.7177 13.5377 numMergedOcc 0
24 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 6.75888 6.40841 10.335 6.31428 numMergedOcc 0
25 mol 58 unq 0 iso 1 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 6.75888 6.40841 6.31428 10.335 numMergedOcc 0
26 mol 58 unq 1 iso 0 dist 6.86465 6.62496 5.30792 6.35756 5.35073 4.81926 6.47744 8.63333 11.5023 8.89374 numMergedOcc 0
27 mol 58 unq 1 iso 1 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 6.47744 8.63333 8.89374 11.5023 numMergedOcc 0
28 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 6.35756 4.81926 5.35073 4.67832 9.64665 11.4118 9.66798 numMergedOcc 0
29 mol 58 unq 2 iso 1 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 4.67832 9.64665 9.66798 11.4118 numMergedOcc 0
30 mol 58 unq 3 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 6.47744 8.89374 8.63333 11.5023 numMergedOcc 0
31 mol 58 unq 3 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 6.47744 8.89374 11.5023 8.63333 numMergedOcc 0
32 mol 58 unq 4 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 13.1021 9.73139 15.9764 10.9482 numMergedOcc 0
33 mol 58 unq 4 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 13.1021 9.73139 10.9482 15.9764 numMergedOcc 0
34 mol 58 unq 5 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 6.75888 6.31428 10.335 6.40841 numMergedOcc 0
35 mol 58 unq 5 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 6.75888 6.31428 6.40841 10.335 numMergedOcc 0
36 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.25513 8.19458 6.40295 5.33688 6.71911 12.8699 11.6249 numMergedOcc 0
37 mol 59 unq 0 iso 1 dist 7.71095 8.25513 8.19458 8.84665 12.5396 6.40295 5.33688 6.71911 11.6249 12.8699 numMergedOcc 0
38 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 7.41074 8.70133 4.65521 15.9587 numMergedOcc 0
39 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 7.41074 8.70133 15.9587 4.65521 numMergedOcc 0
40 mol 73 unq 1 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 7.41074 4.65521 8.70133 15.9587 numMergedOcc 0
41 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 7.41074 4.65521 15.9587 8.70133 numMergedOcc 0
42 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 11.6116 9.47876 13.6587 7.22293 numMergedOcc 0
43 mol 85 unq 0 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 11.6116 9.47876 7.22293 13.6587 numMergedOcc 0
44 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 11.6116 7.22293 13.6587 9.47876 numMergedOcc 0
45 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 11.6116 7.22293 9.47876 13.6587 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 15.209 7.75343 11.8016 15.6924 numMergedOcc 0
47 mol 100 unq 0 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 15.209 7.75343 15.6924 11.8016 numMergedOcc 0
48 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1589 8.72704 10.5193 15.8984 numMergedOcc 0
49 mol 100 unq 1 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1589 8.72704 15.8984 10.5193 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1589 8.72704 10.5193 14.8726 numMergedOcc 0
51 mol 100 unq 2 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 10.1589 8.72704 14.8726 10.5193 numMergedOcc 0
52 mol 100 unq 2 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1589 8.72704 15.8984 14.8726 numMergedOcc 0
53 mol 100 unq 2 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 10.1589 8.72704 14.8726 15.8984 numMergedOcc 0
54 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 10.9739 7.76729 17.6696 12.9821 numMergedOcc 0
55 mol 115 unq 0 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 10.9739 7.76729 12.9821 17.6696 numMergedOcc 0
56 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 11.7126 6.99777 11.695 13.9977 numMergedOcc 0
57 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 11.7126 6.99777 13.9977 11.695 numMergedOcc 0
58 mol 115 unq 2 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 4.62962 9.14376 10.0603 9.65429 numMergedOcc 0
59 mol 115 unq 2 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 4.62962 9.14376 9.65429 10.0603 numMergedOcc 0
60 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 4.91401 6.62561 7.63616 10.6107 numMergedOcc 0
61 mol 117 unq 0 iso 1 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 4.91401 6.62561 10.6107 7.63616 numMergedOcc 0
62 mol 117 unq 1 iso 0 dist 7.83136 7.90328 7.22206 7.0603 7.21564 9.3584 4.91401 7.63616 6.62561 10.6107 numMergedOcc 0
63 mol 117 unq 1 iso 1 dist 7.83136 7.0603 7.21564 7.90328 7.22206 9.3584 4.91401 7.63616 10.6107 6.62561 numMergedOcc 0
64 mol 131 unq 0 iso 0 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 6.19596 8.6243 12.5969 6.91348 numMergedOcc 0
65 mol 131 unq 0 iso 1 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 6.19596 8.6243 6.91348 12.5969 numMergedOcc 0
66 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 6.19596 6.91348 12.5969 8.6243 numMergedOcc 0
67 mol 131 unq 1 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 6.19596 6.91348 8.6243 12.5969 numMergedOcc 0
68 mol 131 unq 2 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 6.6499 9.51418 13.6559 12.9472 numMergedOcc 0
69 mol 131 unq 2 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 6.6499 9.51418 12.9472 13.6559 numMergedOcc 0
70 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 12.2037 7.92688 17.2931 15.1694 numMergedOcc 0
71 mol 133 unq 0 iso 1 dist 8.00618 6.80239 7.79672 6.29155 11.965 7.81217 12.2037 7.92688 15.1694 17.2931 numMergedOcc 0
72 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 5.41704 8.79571 5.42582 8.6355 numMergedOcc 0
73 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 5.41704 8.79571 8.6355 5.42582 numMergedOcc 0
74 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 5.41704 5.42582 8.79571 8.6355 numMergedOcc 0
75 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 5.41704 5.42582 8.6355 8.79571 numMergedOcc 0
76 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.41704 8.6355 8.79571 5.42582 numMergedOcc 0
77 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.41704 8.6355 5.42582 8.79571 numMergedOcc 0
78 mol 152 unq 0 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 8.25411 9.13561 12.4808 14.1119 numMergedOcc 0
79 mol 152 unq 0 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 8.25411 9.13561 14.1119 12.4808 numMergedOcc 0
80 mol 152 unq 1 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 7.89109 9.13561 12.4808 14.1119 numMergedOcc 0
81 mol 152 unq 1 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 7.89109 9.13561 14.1119 12.4808 numMergedOcc 0
82 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 9.83699 8.38403 11.2719 6.29785 9.36805 13.1853 7.55203 numMergedOcc 0
83 mol 156 unq 0 iso 1 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 6.29785 9.36805 7.55203 13.1853 numMergedOcc 0
84 mol 156 unq 1 iso 0 dist 9.83699 7.44554 8.38403 8.94056 11.2719 5.56175 6.29785 7.55203 9.36805 13.1853 numMergedOcc 0
85 mol 156 unq 1 iso 1 dist 9.83699 8.94056 11.2719 7.44554 8.38403 5.56175 6.29785 7.55203 13.1853 9.36805 numMergedOcc 0
86 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 6.57069 8.16421 5.35493 11.0415 9.31887 12.816 11.3137 numMergedOcc 0
87 mol 175 unq 0 iso 1 dist 9.0018 6.57069 8.16421 5.6234 6.2715 5.35493 11.0415 9.31887 11.3137 12.816 numMergedOcc 0
88 mol 175 unq 1 iso 0 dist 5.6234 9.0018 6.2715 6.57069 5.35493 8.16421 5.28109 9.0664 10.689 11.5506 numMergedOcc 0
89 mol 175 unq 1 iso 1 dist 5.6234 6.57069 5.35493 9.0018 6.2715 8.16421 5.28109 9.0664 11.5506 10.689 numMergedOcc 0
90 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 5.4601 7.20046 10.2276 11.968 numMergedOcc 0
91 mol 181 unq 0 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 5.4601 7.20046 11.968 10.2276 numMergedOcc 0
92 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.0524 7.13543 10.7636 11.8099 numMergedOcc 0
93 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.0524 7.13543 11.8099 10.7636 numMergedOcc 0
94 mol 181 unq 2 iso 0 dist 9.15386 9.1374 12.1628 5.98885 5.16002 8.88798 8.25067 9.6668 13.2702 10.8351 numMergedOcc 0
95 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 9.1374 12.1628 8.88798 8.25067 9.6668 10.8351 13.2702 numMergedOcc 0
96 mol 214 unq 0 iso 0 dist 8.85478 9.65138 4.40923 7.14453 11.3796 9.10746 6.67959 7.46831 10.852 12.6888 numMergedOcc 0
97 mol 214 unq 0 iso 1 dist 8.85478 7.14453 11.3796 9.65138 4.40923 9.10746 6.67959 7.46831 12.6888 10.852 numMergedOcc 0
98 mol 224 unq 0 iso 0 dist 8.95269 6.57273 4.70378 5.78342 11.5372 8.49799 9.36098 7.06793 10.0414 12.7072 numMergedOcc 0
99 mol 224 unq 0 iso 1 dist 8.95269 5.78342 11.5372 6.57273 4.70378 8.49799 9.36098 7.06793 12.7072 10.0414 numMergedOcc 0
100 mol 224 unq 1 iso 0 dist 8.95269 6.57273 4.70378 5.78342 11.5372 8.49799 5.29877 6.67585 6.65984 10.667 numMergedOcc 0
101 mol 224 unq 1 iso 1 dist 8.95269 5.78342 11.5372 6.57273 4.70378 8.49799 5.29877 6.67585 10.667 6.65984 numMergedOcc 0
102 mol 224 unq 2 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 5.29877 6.65984 6.67585 10.667 numMergedOcc 0
103 mol 224 unq 2 iso 1 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.29877 6.65984 10.667 6.67585 numMergedOcc 0
104 mol 224 unq 3 iso 0 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 6.12232 6.65984 11.0097 10.667 numMergedOcc 0
105 mol 224 unq 3 iso 1 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 6.12232 6.65984 10.667 11.0097 numMergedOcc 0
106 mol 224 unq 4 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 5.3621 6.87664 10.8259 10.2775 numMergedOcc 0
107 mol 224 unq 4 iso 1 dist 5.78342 5.81334 5.60236 9.16166 5.0744 6.91102 5.3621 6.87664 10.2775 10.8259 numMergedOcc 0
108 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 6.43754 8.17891 12.4085 6.95902 numMergedOcc 0
109 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 6.43754 8.17891 6.95902 12.4085 numMergedOcc 0
110 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 6.43754 8.17891 12.4085 11.004 numMergedOcc 0
111 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 6.43754 8.17891 11.004 12.4085 numMergedOcc 0
112 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 6.43754 8.17891 12.4085 12.8864 numMergedOcc 0
113 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 6.43754 8.17891 12.8864 12.4085 numMergedOcc 0
114 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 6.43754 8.17891 6.95902 11.004 numMergedOcc 0
115 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 6.43754 8.17891 11.004 6.95902 numMergedOcc 0
116 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 6.43754 8.17891 6.95902 12.8864 numMergedOcc 0
117 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 6.43754 8.17891 12.8864 6.95902 numMergedOcc 0
118 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 6.43754 8.17891 11.004 12.8864 numMergedOcc 0
119 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 6.43754 8.17891 12.8864 11.004 numMergedOcc 0
120 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 14.6185 9.62609 17.0949 13.4493 numMergedOcc 0
121 mol 227 unq 3 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 14.6185 9.62609 13.4493 17.0949 numMergedOcc 0
122 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 6.43754 6.95902 12.4085 8.17891 numMergedOcc 0
123 mol 227 unq 4 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 6.43754 6.95902 8.17891 12.4085 numMergedOcc 0
124 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 14.6185 9.62609 17.0949 16.5207 numMergedOcc 0
125 mol 227 unq 5 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 14.6185 9.62609 16.5207 17.0949 numMergedOcc 0
126 mol 227 unq 6 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 6.43754 6.95902 12.4085 11.004 numMergedOcc 0
127 mol 227 unq 6 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 6.43754 6.95902 11.004 12.4085 numMergedOcc 0
128 mol 227 unq 7 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 14.6185 9.62609 17.0949 19.8174 numMergedOcc 0
129 mol 227 unq 7 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 14.6185 9.62609 19.8174 17.0949 numMergedOcc 0
130 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 6.43754 6.95902 12.4085 12.8864 numMergedOcc 0
131 mol 227 unq 8 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 6.43754 6.95902 12.8864 12.4085 numMergedOcc 0
132 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 14.6185 9.62609 13.4493 16.5207 numMergedOcc 0
133 mol 227 unq 5 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 14.6185 9.62609 16.5207 13.4493 numMergedOcc 0
134 mol 227 unq 6 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 6.43754 6.95902 8.17891 11.004 numMergedOcc 0
135 mol 227 unq 6 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 6.43754 6.95902 11.004 8.17891 numMergedOcc 0
136 mol 227 unq 7 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 14.6185 9.62609 13.4493 19.8174 numMergedOcc 0
137 mol 227 unq 7 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 14.6185 9.62609 19.8174 13.4493 numMergedOcc 0
138 mol 227 unq 8 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 6.43754 6.95902 8.17891 12.8864 numMergedOcc 0
139 mol 227 unq 8 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 6.43754 6.95902 12.8864 8.17891 numMergedOcc 0
140 mol 227 unq 7 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 14.6185 9.62609 16.5207 19.8174 numMergedOcc 0
141 mol 227 unq 7 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 14.6185 9.62609 19.8174 16.5207 numMergedOcc 0
142 mol 227 unq 8 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 6.43754 6.95902 11.004 12.8864 numMergedOcc 0
143 mol 227 unq 8 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 6.43754 6.95902 12.8864 11.004 numMergedOcc 0
144 mol 227 unq 9 iso 0 dist 7.55216 9.34734 9.51866 7.22101 12.4689 6.99063 11.662 8.83563 14.4583 15.9414 numMergedOcc 0
145 mol 227 unq 9 iso 1 dist 7.55216 7.22101 12.4689 9.34734 9.51866 6.99063 11.662 8.83563 15.9414 14.4583 numMergedOcc 0
146 mol 227 unq 10 iso 0 dist 7.55216 9.34734 9.51866 8.65997 12.9332 7.60506 11.662 8.83563 14.4583 18.8667 numMergedOcc 0
147 mol 227 unq 10 iso 1 dist 7.55216 8.65997 12.9332 9.34734 9.51866 7.60506 11.662 8.83563 18.8667 14.4583 numMergedOcc 0
148 mol 227 unq 11 iso 0 dist 7.55216 9.34734 9.51866 7.56888 4.48529 7.43198 11.662 8.83563 14.4583 12.9801 numMergedOcc 0
149 mol 227 unq 11 iso 1 dist 7.55216 7.56888 4.48529 9.34734 9.51866 7.43198 11.662 8.83563 12.9801 14.4583 numMergedOcc 0
150 mol 227 unq 10 iso 0 dist 7.55216 7.22101 12.4689 8.65997 12.9332 5.22356 11.662 8.83563 15.9414 18.8667 numMergedOcc 0
151 mol 227 unq 10 iso 1 dist 7.55216 8.65997 12.9332 7.22101 12.4689 5.22356 11.662 8.83563 18.8667 15.9414 numMergedOcc 0
152 mol 227 unq 11 iso 0 dist 7.55216 7.22101 12.4689 7.56888 4.48529 10.8658 11.662 8.83563 15.9414 12.9801 numMergedOcc 0
153 mol 227 unq 11 iso 1 dist 7.55216 7.56888 4.48529 7.22101 12.4689 10.8658 11.662 8.83563 12.9801 15.9414 numMergedOcc 0
154 mol 227 unq 11 iso 0 dist 7.55216 8.65997 12.9332 7.56888 4.48529 9.70012 11.662 8.83563 18.8667 12.9801 numMergedOcc 0
155 mol 227 unq 11 iso 1 dist 7.55216 7.56888 4.48529 8.65997 12.9332 9.70012 11.662 8.83563 12.9801 18.8667 numMergedOcc 0
156 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 8.2965 10.8081 5.86196 10.1857 8.50864 11.9152 14.4409 numMergedOcc 0
157 mol 248 unq 0 iso 1 dist 7.69895 8.2965 10.8081 7.21521 5.55137 5.86196 10.1857 8.50864 14.4409 11.9152 numMergedOcc 0
158 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 9.37715 7.66365 10.165 14.7097 numMergedOcc 0
159 mol 252 unq 0 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 9.37715 7.66365 14.7097 10.165 numMergedOcc 0
160 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 6.33524 5.39891 4.66602 6.3384 6.85028 10.4802 7.32347 numMergedOcc 0
161 mol 282 unq 0 iso 1 dist 8.04483 6.33524 5.39891 8.76532 10.0156 4.66602 6.3384 6.85028 7.32347 10.4802 numMergedOcc 0
162 mol 282 unq 1 iso 0 dist 6.33524 8.04483 5.39891 8.76532 4.66602 10.0156 6.3384 7.32347 6.85028 10.4802 numMergedOcc 0
163 mol 282 unq 1 iso 1 dist 6.33524 8.76532 4.66602 8.04483 5.39891 10.0156 6.3384 7.32347 10.4802 6.85028 numMergedOcc 0
