0 mol 16 unq 0 iso 0 dist 9.47421 5.66097 5.47769 10.8592 6.2983 6.31718 7.46752 5.94084 7.63133 10.8455 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.47421 5.66097 5.47769 7.46752 5.94084 7.63133 10.8592 6.2983 6.31718 10.8455 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 10.7917 11.0832 7.20519 8.18518 6.55187 4.54938 7.34551 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 5.36258 6.57145 8.23643 8.18518 6.55187 4.54938 10.7917 11.0832 7.20519 7.34551 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 5.36258 6.57145 8.23643 10.7917 11.0832 7.20519 12.9091 12.3093 6.864 7.07775 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 5.36258 6.57145 8.23643 12.9091 12.3093 6.864 10.7917 11.0832 7.20519 7.07775 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 5.36258 6.57145 8.23643 8.18518 6.55187 4.54938 12.9091 12.3093 6.864 5.80928 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 5.36258 6.57145 8.23643 12.9091 12.3093 6.864 8.18518 6.55187 4.54938 5.80928 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 5.88852 5.78908 7.685 11.193 8.43188 7.31767 10.8651 10.3635 6.03987 4.51512 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 5.88852 5.78908 7.685 10.8651 10.3635 6.03987 11.193 8.43188 7.31767 4.51512 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 7.14313 6.77761 5.15851 7.16583 10.0425 7.79912 11.6681 11.8774 8.56639 5.64643 numMergedOcc 0
11 mol 75 unq 0 iso 1 dist 7.14313 6.77761 5.15851 11.6681 11.8774 8.56639 7.16583 10.0425 7.79912 5.64643 numMergedOcc 0
12 mol 75 unq 1 iso 0 dist 7.14313 6.77761 5.15851 7.16583 10.0425 7.79912 13.9013 10.0372 8.59017 10.4899 numMergedOcc 0
13 mol 75 unq 1 iso 1 dist 7.14313 6.77761 5.15851 13.9013 10.0372 8.59017 7.16583 10.0425 7.79912 10.4899 numMergedOcc 0
14 mol 75 unq 1 iso 0 dist 7.14313 6.77761 5.15851 11.6681 11.8774 8.56639 13.9013 10.0372 8.59017 7.00674 numMergedOcc 0
15 mol 75 unq 1 iso 1 dist 7.14313 6.77761 5.15851 13.9013 10.0372 8.59017 11.6681 11.8774 8.56639 7.00674 numMergedOcc 0
16 mol 75 unq 2 iso 0 dist 8.26819 5.56574 5.15851 13.0751 10.0425 7.79912 12.1692 11.8774 8.56639 5.64643 numMergedOcc 0
17 mol 75 unq 2 iso 1 dist 8.26819 5.56574 5.15851 12.1692 11.8774 8.56639 13.0751 10.0425 7.79912 5.64643 numMergedOcc 0
18 mol 75 unq 3 iso 0 dist 8.26819 5.56574 5.15851 13.0751 10.0425 7.79912 10.0315 10.0372 8.59017 10.4899 numMergedOcc 0
19 mol 75 unq 3 iso 1 dist 8.26819 5.56574 5.15851 10.0315 10.0372 8.59017 13.0751 10.0425 7.79912 10.4899 numMergedOcc 0
20 mol 75 unq 3 iso 0 dist 8.26819 5.56574 5.15851 12.1692 11.8774 8.56639 10.0315 10.0372 8.59017 7.00674 numMergedOcc 0
21 mol 75 unq 3 iso 1 dist 8.26819 5.56574 5.15851 10.0315 10.0372 8.59017 12.1692 11.8774 8.56639 7.00674 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 6.00131 6.09495 8.36431 10.869 10.9701 9.33898 14.4679 12.4284 9.64443 13.1316 numMergedOcc 0
23 mol 92 unq 0 iso 1 dist 6.00131 6.09495 8.36431 14.4679 12.4284 9.64443 10.869 10.9701 9.33898 13.1316 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 6.0026 6.89762 8.72704 9.57498 7.2495 6.45675 10.0165 10.1589 7.47343 5.33144 numMergedOcc 0
25 mol 100 unq 0 iso 1 dist 6.0026 6.89762 8.72704 10.0165 10.1589 7.47343 9.57498 7.2495 6.45675 5.33144 numMergedOcc 0
26 mol 100 unq 1 iso 0 dist 6.0026 6.89762 8.72704 9.57498 7.2495 6.45675 15.6218 15.9331 8.86688 9.71151 numMergedOcc 0
27 mol 100 unq 1 iso 1 dist 6.0026 6.89762 8.72704 15.6218 15.9331 8.86688 9.57498 7.2495 6.45675 9.71151 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 6.0026 6.89762 8.72704 10.0165 10.1589 7.47343 15.6218 15.9331 8.86688 10.1407 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 6.0026 6.89762 8.72704 15.6218 15.9331 8.86688 10.0165 10.1589 7.47343 10.1407 numMergedOcc 0
30 mol 127 unq 0 iso 0 dist 5.45159 13.8098 8.59981 20.3291 14.9761 8.14887 18.5612 14.085 9.30299 7.30196 numMergedOcc 0
31 mol 127 unq 0 iso 1 dist 5.45159 13.8098 8.59981 18.5612 14.085 9.30299 20.3291 14.9761 8.14887 7.30196 numMergedOcc 0
32 mol 127 unq 1 iso 0 dist 4.9835 11.5038 8.59981 16.9209 14.9761 8.14887 13.8284 14.085 9.30299 7.30196 numMergedOcc 0
33 mol 127 unq 1 iso 1 dist 4.9835 11.5038 8.59981 13.8284 14.085 9.30299 16.9209 14.9761 8.14887 7.30196 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 6.61636 14.1314 7.92688 10.5219 4.68409 7.11802 18.5879 12.2037 8.00618 8.18495 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 6.61636 14.1314 7.92688 18.5879 12.2037 8.00618 10.5219 4.68409 7.11802 8.18495 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 8.54318 12.7034 9.14392 13.7468 6.3845 7.46303 18.2865 12.1814 6.43582 7.66392 numMergedOcc 0
37 mol 155 unq 0 iso 1 dist 8.54318 12.7034 9.14392 18.2865 12.1814 6.43582 13.7468 6.3845 7.46303 7.66392 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 5.00266 6.19375 6.99002 15.0279 15.9568 9.23153 13.2107 11.1321 8.24498 10.5449 numMergedOcc 0
39 mol 220 unq 0 iso 1 dist 5.00266 6.19375 6.99002 13.2107 11.1321 8.24498 15.0279 15.9568 9.23153 10.5449 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 5.77356 5.27568 7.17676 12.96 11.8759 8.03456 10.8312 11.3552 6.84306 5.79505 numMergedOcc 0
41 mol 236 unq 0 iso 1 dist 5.77356 5.27568 7.17676 10.8312 11.3552 6.84306 12.96 11.8759 8.03456 5.79505 numMergedOcc 0
42 mol 236 unq 1 iso 0 dist 5.77356 5.27568 7.17676 12.96 11.8759 8.03456 11.2195 6.04825 9.99038 9.90963 numMergedOcc 0
43 mol 236 unq 1 iso 1 dist 5.77356 5.27568 7.17676 11.2195 6.04825 9.99038 12.96 11.8759 8.03456 9.90963 numMergedOcc 0
44 mol 236 unq 2 iso 0 dist 5.77356 5.27568 7.17676 12.96 11.8759 8.03456 14.0541 12.6468 9.78037 6.96005 numMergedOcc 0
45 mol 236 unq 2 iso 1 dist 5.77356 5.27568 7.17676 14.0541 12.6468 9.78037 12.96 11.8759 8.03456 6.96005 numMergedOcc 0
46 mol 236 unq 3 iso 0 dist 5.77356 5.27568 7.17676 12.96 11.8759 8.03456 6.73134 6.40312 8.35971 14.2337 numMergedOcc 0
47 mol 236 unq 3 iso 1 dist 5.77356 5.27568 7.17676 6.73134 6.40312 8.35971 12.96 11.8759 8.03456 14.2337 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 5.77356 5.27568 7.17676 10.8312 11.3552 6.84306 11.2195 6.04825 9.99038 11.3368 numMergedOcc 0
49 mol 236 unq 1 iso 1 dist 5.77356 5.27568 7.17676 11.2195 6.04825 9.99038 10.8312 11.3552 6.84306 11.3368 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 5.77356 5.27568 7.17676 10.8312 11.3552 6.84306 14.0541 12.6468 9.78037 11.8739 numMergedOcc 0
51 mol 236 unq 2 iso 1 dist 5.77356 5.27568 7.17676 14.0541 12.6468 9.78037 10.8312 11.3552 6.84306 11.8739 numMergedOcc 0
52 mol 236 unq 3 iso 0 dist 5.77356 5.27568 7.17676 10.8312 11.3552 6.84306 6.73134 6.40312 8.35971 14.7998 numMergedOcc 0
53 mol 236 unq 3 iso 1 dist 5.77356 5.27568 7.17676 6.73134 6.40312 8.35971 10.8312 11.3552 6.84306 14.7998 numMergedOcc 0
54 mol 236 unq 2 iso 0 dist 5.77356 5.27568 7.17676 11.2195 6.04825 9.99038 14.0541 12.6468 9.78037 11.1557 numMergedOcc 0
55 mol 236 unq 2 iso 1 dist 5.77356 5.27568 7.17676 14.0541 12.6468 9.78037 11.2195 6.04825 9.99038 11.1557 numMergedOcc 0
56 mol 236 unq 3 iso 0 dist 5.77356 5.27568 7.17676 11.2195 6.04825 9.99038 6.73134 6.40312 8.35971 10.7497 numMergedOcc 0
57 mol 236 unq 3 iso 1 dist 5.77356 5.27568 7.17676 6.73134 6.40312 8.35971 11.2195 6.04825 9.99038 10.7497 numMergedOcc 0
58 mol 236 unq 3 iso 0 dist 5.77356 5.27568 7.17676 14.0541 12.6468 9.78037 6.73134 6.40312 8.35971 12.0369 numMergedOcc 0
59 mol 236 unq 3 iso 1 dist 5.77356 5.27568 7.17676 6.73134 6.40312 8.35971 14.0541 12.6468 9.78037 12.0369 numMergedOcc 0
60 mol 236 unq 4 iso 0 dist 5.77356 7.77821 5.34718 12.96 11.8759 9.81562 10.8312 11.3552 7.68742 5.79505 numMergedOcc 0
61 mol 236 unq 4 iso 1 dist 5.77356 7.77821 5.34718 10.8312 11.3552 7.68742 12.96 11.8759 9.81562 5.79505 numMergedOcc 0
62 mol 236 unq 5 iso 0 dist 5.77356 7.77821 5.34718 12.96 11.8759 9.81562 11.2195 6.04825 6.27581 9.90963 numMergedOcc 0
63 mol 236 unq 5 iso 1 dist 5.77356 7.77821 5.34718 11.2195 6.04825 6.27581 12.96 11.8759 9.81562 9.90963 numMergedOcc 0
64 mol 236 unq 5 iso 0 dist 5.77356 7.77821 5.34718 10.8312 11.3552 7.68742 11.2195 6.04825 6.27581 11.3368 numMergedOcc 0
65 mol 236 unq 5 iso 1 dist 5.77356 7.77821 5.34718 11.2195 6.04825 6.27581 10.8312 11.3552 7.68742 11.3368 numMergedOcc 0
66 mol 236 unq 6 iso 0 dist 9.24309 5.27568 6.68463 12.96 9.07822 8.03456 10.8312 11.6837 6.84306 5.79505 numMergedOcc 0
67 mol 236 unq 6 iso 1 dist 9.24309 5.27568 6.68463 10.8312 11.6837 6.84306 12.96 9.07822 8.03456 5.79505 numMergedOcc 0
68 mol 236 unq 7 iso 0 dist 9.24309 5.27568 6.68463 12.96 9.07822 8.03456 11.2195 8.8265 9.99038 9.90963 numMergedOcc 0
69 mol 236 unq 7 iso 1 dist 9.24309 5.27568 6.68463 11.2195 8.8265 9.99038 12.96 9.07822 8.03456 9.90963 numMergedOcc 0
70 mol 236 unq 8 iso 0 dist 9.24309 5.27568 6.68463 12.96 9.07822 8.03456 14.0541 5.80136 9.78037 6.96005 numMergedOcc 0
71 mol 236 unq 8 iso 1 dist 9.24309 5.27568 6.68463 14.0541 5.80136 9.78037 12.96 9.07822 8.03456 6.96005 numMergedOcc 0
72 mol 236 unq 9 iso 0 dist 9.24309 5.27568 6.68463 12.96 9.07822 8.03456 6.73134 6.2568 8.35971 14.2337 numMergedOcc 0
73 mol 236 unq 9 iso 1 dist 9.24309 5.27568 6.68463 6.73134 6.2568 8.35971 12.96 9.07822 8.03456 14.2337 numMergedOcc 0
74 mol 236 unq 7 iso 0 dist 9.24309 5.27568 6.68463 10.8312 11.6837 6.84306 11.2195 8.8265 9.99038 11.3368 numMergedOcc 0
75 mol 236 unq 7 iso 1 dist 9.24309 5.27568 6.68463 11.2195 8.8265 9.99038 10.8312 11.6837 6.84306 11.3368 numMergedOcc 0
76 mol 236 unq 8 iso 0 dist 9.24309 5.27568 6.68463 10.8312 11.6837 6.84306 14.0541 5.80136 9.78037 11.8739 numMergedOcc 0
77 mol 236 unq 8 iso 1 dist 9.24309 5.27568 6.68463 14.0541 5.80136 9.78037 10.8312 11.6837 6.84306 11.8739 numMergedOcc 0
78 mol 236 unq 9 iso 0 dist 9.24309 5.27568 6.68463 10.8312 11.6837 6.84306 6.73134 6.2568 8.35971 14.7998 numMergedOcc 0
79 mol 236 unq 9 iso 1 dist 9.24309 5.27568 6.68463 6.73134 6.2568 8.35971 10.8312 11.6837 6.84306 14.7998 numMergedOcc 0
80 mol 236 unq 8 iso 0 dist 9.24309 5.27568 6.68463 11.2195 8.8265 9.99038 14.0541 5.80136 9.78037 11.1557 numMergedOcc 0
81 mol 236 unq 8 iso 1 dist 9.24309 5.27568 6.68463 14.0541 5.80136 9.78037 11.2195 8.8265 9.99038 11.1557 numMergedOcc 0
82 mol 236 unq 9 iso 0 dist 9.24309 5.27568 6.68463 11.2195 8.8265 9.99038 6.73134 6.2568 8.35971 10.7497 numMergedOcc 0
83 mol 236 unq 9 iso 1 dist 9.24309 5.27568 6.68463 6.73134 6.2568 8.35971 11.2195 8.8265 9.99038 10.7497 numMergedOcc 0
84 mol 236 unq 9 iso 0 dist 9.24309 5.27568 6.68463 14.0541 5.80136 9.78037 6.73134 6.2568 8.35971 12.0369 numMergedOcc 0
85 mol 236 unq 9 iso 1 dist 9.24309 5.27568 6.68463 6.73134 6.2568 8.35971 14.0541 5.80136 9.78037 12.0369 numMergedOcc 0
86 mol 248 unq 0 iso 0 dist 9.83514 9.48478 6.07192 6.44967 6.48757 7.69895 11.4848 5.51827 7.21521 5.55137 numMergedOcc 0
87 mol 248 unq 0 iso 1 dist 9.83514 9.48478 6.07192 11.4848 5.51827 7.21521 6.44967 6.48757 7.69895 5.55137 numMergedOcc 0
88 mol 248 unq 1 iso 0 dist 9.83514 9.48478 6.07192 6.44967 6.48757 7.69895 15.9246 9.29921 8.2965 10.8081 numMergedOcc 0
89 mol 248 unq 1 iso 1 dist 9.83514 9.48478 6.07192 15.9246 9.29921 8.2965 6.44967 6.48757 7.69895 10.8081 numMergedOcc 0
90 mol 248 unq 1 iso 0 dist 9.83514 9.48478 6.07192 11.4848 5.51827 7.21521 15.9246 9.29921 8.2965 5.86196 numMergedOcc 0
91 mol 248 unq 1 iso 1 dist 9.83514 9.48478 6.07192 15.9246 9.29921 8.2965 11.4848 5.51827 7.21521 5.86196 numMergedOcc 0
92 mol 249 unq 0 iso 0 dist 9.02486 12.5843 8.83735 12.4678 5.23473 7.57994 15.0782 7.38675 6.18582 5.01979 numMergedOcc 0
93 mol 249 unq 0 iso 1 dist 9.02486 12.5843 8.83735 15.0782 7.38675 6.18582 12.4678 5.23473 7.57994 5.01979 numMergedOcc 0
