0 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 10.4413 6.20293 8.13395 8.60781 9.83618 10.4442 9.49077 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.06275 10.4413 6.20293 5.5249 8.80331 8.13395 8.60781 9.83618 9.49077 10.4442 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 13.9129 8.80331 5.84171 6.20293 8.13395 12.664 9.83618 10.4442 9.49077 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 8.90024 5.84171 6.20293 13.9129 8.80331 8.13395 12.664 9.83618 9.49077 10.4442 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 6.53977 6.72123 6.86346 5.31827 8.76003 5.83489 7.39396 numMergedOcc 0
5 mol 61 unq 0 iso 1 dist 5.50504 6.53977 6.72123 7.62418 6.65721 6.86346 5.31827 8.76003 7.39396 5.83489 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 16.2349 9.96708 10.7394 12.1059 6.77912 12.0644 7.11552 numMergedOcc 0
7 mol 72 unq 0 iso 1 dist 9.43143 16.2349 9.96708 10.5786 8.8178 10.7394 12.1059 6.77912 7.11552 12.0644 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 5.48831 13.0773 9.96708 10.5933 9.78528 8.24309 5.94737 7.321 9.0131 6.11922 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 5.48831 10.5933 9.78528 13.0773 9.96708 8.24309 5.94737 7.321 6.11922 9.0131 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 13.0232 6.19965 5.42586 5.84688 9.47876 7.98917 11.6116 numMergedOcc 0
11 mol 85 unq 0 iso 1 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 5.84688 9.47876 11.6116 7.98917 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 16.7911 9.71307 6.81259 13.386 5.42582 5.41704 6.17103 numMergedOcc 0
13 mol 134 unq 0 iso 1 dist 8.84656 16.7911 9.71307 10.879 6.37586 6.81259 13.386 5.42582 6.17103 5.41704 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 4.9155 9.30817 6.54501 10.879 6.49416 5.00526 13.386 8.6355 10.1448 5.41704 numMergedOcc 0
15 mol 134 unq 1 iso 1 dist 4.9155 10.879 6.49416 9.30817 6.54501 5.00526 13.386 8.6355 5.41704 10.1448 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 8.49987 6.47843 6.54501 10.9399 6.49416 5.00526 15.6111 8.6355 10.1448 5.41704 numMergedOcc 0
17 mol 134 unq 2 iso 1 dist 8.49987 10.9399 6.49416 6.47843 6.54501 5.00526 15.6111 8.6355 5.41704 10.1448 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 9.42271 6.16353 6.54501 7.07625 6.49416 5.00526 11.8215 8.6355 10.1448 5.41704 numMergedOcc 0
19 mol 134 unq 3 iso 1 dist 9.42271 7.07625 6.49416 6.16353 6.54501 5.00526 11.8215 8.6355 5.41704 10.1448 numMergedOcc 0
20 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 13.5268 7.73169 5.50998 9.01957 7.15475 9.49653 7.53854 numMergedOcc 0
21 mol 142 unq 0 iso 1 dist 8.86346 13.5268 7.73169 16.7609 9.2313 5.50998 9.01957 7.15475 7.53854 9.49653 numMergedOcc 0
22 mol 142 unq 1 iso 0 dist 8.86346 16.7609 9.2313 12.1759 8.96657 11.1395 9.01957 7.15475 9.49653 10.3477 numMergedOcc 0
23 mol 142 unq 1 iso 1 dist 8.86346 12.1759 8.96657 16.7609 9.2313 11.1395 9.01957 7.15475 10.3477 9.49653 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 12.1759 8.96657 5.92693 9.01957 7.15475 7.53854 10.3477 numMergedOcc 0
25 mol 142 unq 1 iso 1 dist 8.86346 12.1759 8.96657 13.5268 7.73169 5.92693 9.01957 7.15475 10.3477 7.53854 numMergedOcc 0
26 mol 142 unq 2 iso 0 dist 4.93681 12.8283 9.2313 10.1677 7.73169 5.50998 6.17441 7.15475 9.49653 7.53854 numMergedOcc 0
27 mol 142 unq 2 iso 1 dist 4.93681 10.1677 7.73169 12.8283 9.2313 5.50998 6.17441 7.15475 7.53854 9.49653 numMergedOcc 0
28 mol 142 unq 3 iso 0 dist 4.93681 12.8283 9.2313 10.0866 8.96657 11.1395 6.17441 7.15475 9.49653 10.3477 numMergedOcc 0
29 mol 142 unq 3 iso 1 dist 4.93681 10.0866 8.96657 12.8283 9.2313 11.1395 6.17441 7.15475 10.3477 9.49653 numMergedOcc 0
30 mol 142 unq 3 iso 0 dist 4.93681 10.1677 7.73169 10.0866 8.96657 5.92693 6.17441 7.15475 7.53854 10.3477 numMergedOcc 0
31 mol 142 unq 3 iso 1 dist 4.93681 10.0866 8.96657 10.1677 7.73169 5.92693 6.17441 7.15475 10.3477 7.53854 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 10.5295 6.70283 7.65448 4.99991 9.13561 5.99333 8.25411 numMergedOcc 0
33 mol 152 unq 0 iso 1 dist 8.34839 10.5295 6.70283 5.65129 8.56324 7.65448 4.99991 9.13561 8.25411 5.99333 numMergedOcc 0
34 mol 152 unq 1 iso 0 dist 8.34839 5.65129 8.56324 10.7929 7.16148 10.6875 4.99991 9.13561 5.99333 7.89109 numMergedOcc 0
35 mol 152 unq 1 iso 1 dist 8.34839 10.7929 7.16148 5.65129 8.56324 10.6875 4.99991 9.13561 7.89109 5.99333 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 10.7929 7.16148 5.49936 4.99991 9.13561 8.25411 7.89109 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 8.34839 10.7929 7.16148 10.5295 6.70283 5.49936 4.99991 9.13561 7.89109 8.25411 numMergedOcc 0
38 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 13.0519 6.43573 5.34677 11.7065 8.96511 10.5783 5.96647 numMergedOcc 0
39 mol 178 unq 0 iso 1 dist 8.04723 13.0519 6.43573 14.4072 6.69288 5.34677 11.7065 8.96511 5.96647 10.5783 numMergedOcc 0
40 mol 178 unq 1 iso 0 dist 8.04723 14.4072 6.69288 10.5681 7.17202 11.7381 11.7065 8.96511 10.5783 12.075 numMergedOcc 0
41 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 14.4072 6.69288 11.7381 11.7065 8.96511 12.075 10.5783 numMergedOcc 0
42 mol 178 unq 2 iso 0 dist 8.04723 14.4072 6.69288 9.1499 8.81551 14.0703 11.7065 8.96511 10.5783 9.92132 numMergedOcc 0
43 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 14.4072 6.69288 14.0703 11.7065 8.96511 9.92132 10.5783 numMergedOcc 0
44 mol 178 unq 1 iso 0 dist 8.04723 13.0519 6.43573 10.5681 7.17202 9.89739 11.7065 8.96511 5.96647 12.075 numMergedOcc 0
45 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 13.0519 6.43573 9.89739 11.7065 8.96511 12.075 5.96647 numMergedOcc 0
46 mol 178 unq 2 iso 0 dist 8.04723 13.0519 6.43573 9.1499 8.81551 10.5529 11.7065 8.96511 5.96647 9.92132 numMergedOcc 0
47 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 13.0519 6.43573 10.5529 11.7065 8.96511 9.92132 5.96647 numMergedOcc 0
48 mol 178 unq 2 iso 0 dist 8.04723 10.5681 7.17202 9.1499 8.81551 5.18005 11.7065 8.96511 12.075 9.92132 numMergedOcc 0
49 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 10.5681 7.17202 5.18005 11.7065 8.96511 9.92132 12.075 numMergedOcc 0
50 mol 220 unq 0 iso 0 dist 8.14644 12.2116 9.23153 12.2916 8.24498 10.5449 8.02272 6.84247 6.7067 6.05129 numMergedOcc 0
51 mol 220 unq 0 iso 1 dist 8.14644 12.2916 8.24498 12.2116 9.23153 10.5449 8.02272 6.84247 6.05129 6.7067 numMergedOcc 0
52 mol 220 unq 1 iso 0 dist 8.14644 12.2116 9.23153 12.2916 8.24498 10.5449 9.32762 6.99002 15.9568 11.1321 numMergedOcc 0
53 mol 220 unq 1 iso 1 dist 8.14644 12.2916 8.24498 12.2116 9.23153 10.5449 9.32762 6.99002 11.1321 15.9568 numMergedOcc 0
54 mol 236 unq 0 iso 0 dist 5.77925 6.59536 8.03456 8.93012 6.84306 5.79505 11.3746 7.17676 11.8759 11.3552 numMergedOcc 0
55 mol 236 unq 0 iso 1 dist 5.77925 8.93012 6.84306 6.59536 8.03456 5.79505 11.3746 7.17676 11.3552 11.8759 numMergedOcc 0
56 mol 236 unq 1 iso 0 dist 5.77925 6.59536 8.03456 8.93012 6.84306 5.79505 5.79263 6.68463 9.07822 11.6837 numMergedOcc 0
57 mol 236 unq 1 iso 1 dist 5.77925 8.93012 6.84306 6.59536 8.03456 5.79505 5.79263 6.68463 11.6837 9.07822 numMergedOcc 0
58 mol 236 unq 2 iso 0 dist 5.77925 6.59536 8.03456 12.1686 9.99038 9.90963 11.3746 7.17676 11.8759 6.04825 numMergedOcc 0
59 mol 236 unq 2 iso 1 dist 5.77925 12.1686 9.99038 6.59536 8.03456 9.90963 11.3746 7.17676 6.04825 11.8759 numMergedOcc 0
60 mol 236 unq 3 iso 0 dist 5.77925 6.59536 8.03456 12.1686 9.99038 9.90963 5.79263 6.68463 9.07822 8.8265 numMergedOcc 0
61 mol 236 unq 3 iso 1 dist 5.77925 12.1686 9.99038 6.59536 8.03456 9.90963 5.79263 6.68463 8.8265 9.07822 numMergedOcc 0
62 mol 236 unq 4 iso 0 dist 5.77925 6.59536 8.03456 5.48757 9.78037 6.96005 11.3746 7.17676 11.8759 12.6468 numMergedOcc 0
63 mol 236 unq 4 iso 1 dist 5.77925 5.48757 9.78037 6.59536 8.03456 6.96005 11.3746 7.17676 12.6468 11.8759 numMergedOcc 0
64 mol 236 unq 5 iso 0 dist 5.77925 6.59536 8.03456 5.48757 9.78037 6.96005 5.79263 6.68463 9.07822 5.80136 numMergedOcc 0
65 mol 236 unq 5 iso 1 dist 5.77925 5.48757 9.78037 6.59536 8.03456 6.96005 5.79263 6.68463 5.80136 9.07822 numMergedOcc 0
66 mol 236 unq 6 iso 0 dist 5.77925 6.59536 8.03456 10.5925 8.35971 14.2337 11.3746 7.17676 11.8759 6.40312 numMergedOcc 0
67 mol 236 unq 6 iso 1 dist 5.77925 10.5925 8.35971 6.59536 8.03456 14.2337 11.3746 7.17676 6.40312 11.8759 numMergedOcc 0
68 mol 236 unq 7 iso 0 dist 5.77925 6.59536 8.03456 10.5925 8.35971 14.2337 5.79263 6.68463 9.07822 6.2568 numMergedOcc 0
69 mol 236 unq 7 iso 1 dist 5.77925 10.5925 8.35971 6.59536 8.03456 14.2337 5.79263 6.68463 6.2568 9.07822 numMergedOcc 0
70 mol 236 unq 2 iso 0 dist 5.77925 8.93012 6.84306 12.1686 9.99038 11.3368 11.3746 7.17676 11.3552 6.04825 numMergedOcc 0
71 mol 236 unq 2 iso 1 dist 5.77925 12.1686 9.99038 8.93012 6.84306 11.3368 11.3746 7.17676 6.04825 11.3552 numMergedOcc 0
72 mol 236 unq 3 iso 0 dist 5.77925 8.93012 6.84306 12.1686 9.99038 11.3368 5.79263 6.68463 11.6837 8.8265 numMergedOcc 0
73 mol 236 unq 3 iso 1 dist 5.77925 12.1686 9.99038 8.93012 6.84306 11.3368 5.79263 6.68463 8.8265 11.6837 numMergedOcc 0
74 mol 236 unq 4 iso 0 dist 5.77925 8.93012 6.84306 5.48757 9.78037 11.8739 11.3746 7.17676 11.3552 12.6468 numMergedOcc 0
75 mol 236 unq 4 iso 1 dist 5.77925 5.48757 9.78037 8.93012 6.84306 11.8739 11.3746 7.17676 12.6468 11.3552 numMergedOcc 0
76 mol 236 unq 5 iso 0 dist 5.77925 8.93012 6.84306 5.48757 9.78037 11.8739 5.79263 6.68463 11.6837 5.80136 numMergedOcc 0
77 mol 236 unq 5 iso 1 dist 5.77925 5.48757 9.78037 8.93012 6.84306 11.8739 5.79263 6.68463 5.80136 11.6837 numMergedOcc 0
78 mol 236 unq 6 iso 0 dist 5.77925 8.93012 6.84306 10.5925 8.35971 14.7998 11.3746 7.17676 11.3552 6.40312 numMergedOcc 0
79 mol 236 unq 6 iso 1 dist 5.77925 10.5925 8.35971 8.93012 6.84306 14.7998 11.3746 7.17676 6.40312 11.3552 numMergedOcc 0
80 mol 236 unq 7 iso 0 dist 5.77925 8.93012 6.84306 10.5925 8.35971 14.7998 5.79263 6.68463 11.6837 6.2568 numMergedOcc 0
81 mol 236 unq 7 iso 1 dist 5.77925 10.5925 8.35971 8.93012 6.84306 14.7998 5.79263 6.68463 6.2568 11.6837 numMergedOcc 0
82 mol 236 unq 4 iso 0 dist 5.77925 12.1686 9.99038 5.48757 9.78037 11.1557 11.3746 7.17676 6.04825 12.6468 numMergedOcc 0
83 mol 236 unq 4 iso 1 dist 5.77925 5.48757 9.78037 12.1686 9.99038 11.1557 11.3746 7.17676 12.6468 6.04825 numMergedOcc 0
84 mol 236 unq 5 iso 0 dist 5.77925 12.1686 9.99038 5.48757 9.78037 11.1557 5.79263 6.68463 8.8265 5.80136 numMergedOcc 0
85 mol 236 unq 5 iso 1 dist 5.77925 5.48757 9.78037 12.1686 9.99038 11.1557 5.79263 6.68463 5.80136 8.8265 numMergedOcc 0
86 mol 236 unq 6 iso 0 dist 5.77925 12.1686 9.99038 10.5925 8.35971 10.7497 11.3746 7.17676 6.04825 6.40312 numMergedOcc 0
87 mol 236 unq 6 iso 1 dist 5.77925 10.5925 8.35971 12.1686 9.99038 10.7497 11.3746 7.17676 6.40312 6.04825 numMergedOcc 0
88 mol 236 unq 7 iso 0 dist 5.77925 12.1686 9.99038 10.5925 8.35971 10.7497 5.79263 6.68463 8.8265 6.2568 numMergedOcc 0
89 mol 236 unq 7 iso 1 dist 5.77925 10.5925 8.35971 12.1686 9.99038 10.7497 5.79263 6.68463 6.2568 8.8265 numMergedOcc 0
90 mol 236 unq 6 iso 0 dist 5.77925 5.48757 9.78037 10.5925 8.35971 12.0369 11.3746 7.17676 12.6468 6.40312 numMergedOcc 0
91 mol 236 unq 6 iso 1 dist 5.77925 10.5925 8.35971 5.48757 9.78037 12.0369 11.3746 7.17676 6.40312 12.6468 numMergedOcc 0
92 mol 236 unq 7 iso 0 dist 5.77925 5.48757 9.78037 10.5925 8.35971 12.0369 5.79263 6.68463 5.80136 6.2568 numMergedOcc 0
93 mol 236 unq 7 iso 1 dist 5.77925 10.5925 8.35971 5.48757 9.78037 12.0369 5.79263 6.68463 6.2568 5.80136 numMergedOcc 0
94 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 6.42334 7.21521 5.55137 10.2858 6.07192 6.48757 5.51827 numMergedOcc 0
95 mol 248 unq 0 iso 1 dist 7.40475 6.42334 7.21521 7.63032 7.69895 5.55137 10.2858 6.07192 5.51827 6.48757 numMergedOcc 0
96 mol 248 unq 1 iso 0 dist 7.40475 7.63032 7.69895 6.86606 8.2965 10.8081 10.2858 6.07192 6.48757 9.29921 numMergedOcc 0
97 mol 248 unq 1 iso 1 dist 7.40475 6.86606 8.2965 7.63032 7.69895 10.8081 10.2858 6.07192 9.29921 6.48757 numMergedOcc 0
98 mol 248 unq 1 iso 0 dist 7.40475 6.42334 7.21521 6.86606 8.2965 5.86196 10.2858 6.07192 5.51827 9.29921 numMergedOcc 0
99 mol 248 unq 1 iso 1 dist 7.40475 6.86606 8.2965 6.42334 7.21521 5.86196 10.2858 6.07192 9.29921 5.51827 numMergedOcc 0
100 mol 252 unq 0 iso 0 dist 6.17985 6.79111 8.1148 6.02958 8.33025 6.0987 7.02444 7.66365 4.23801 9.37715 numMergedOcc 0
101 mol 252 unq 0 iso 1 dist 6.17985 6.02958 8.33025 6.79111 8.1148 6.0987 7.02444 7.66365 9.37715 4.23801 numMergedOcc 0
102 mol 261 unq 0 iso 0 dist 9.80409 4.63237 9.14619 6.39263 8.45658 7.00201 9.66751 7.47164 7.49174 5.22253 numMergedOcc 0
103 mol 261 unq 0 iso 1 dist 9.80409 6.39263 8.45658 4.63237 9.14619 7.00201 9.66751 7.47164 5.22253 7.49174 numMergedOcc 0
104 mol 264 unq 0 iso 0 dist 7.37999 4.72487 9.361 11.0659 6.24356 10.3202 11.9746 9.0012 9.74238 5.12409 numMergedOcc 0
105 mol 264 unq 0 iso 1 dist 7.37999 11.0659 6.24356 4.72487 9.361 10.3202 11.9746 9.0012 5.12409 9.74238 numMergedOcc 0
106 mol 264 unq 1 iso 0 dist 7.37999 4.72487 9.361 11.0659 6.24356 10.3202 11.2015 9.5784 9.85579 9.67998 numMergedOcc 0
107 mol 264 unq 1 iso 1 dist 7.37999 11.0659 6.24356 4.72487 9.361 10.3202 11.2015 9.5784 9.67998 9.85579 numMergedOcc 0
108 mol 264 unq 2 iso 0 dist 7.36703 5.28781 9.361 5.91731 6.24356 10.3202 7.25333 9.0012 9.74238 5.12409 numMergedOcc 0
109 mol 264 unq 2 iso 1 dist 7.36703 5.91731 6.24356 5.28781 9.361 10.3202 7.25333 9.0012 5.12409 9.74238 numMergedOcc 0
110 mol 264 unq 3 iso 0 dist 7.36703 5.28781 9.361 5.91731 6.24356 10.3202 10.3867 9.5784 9.85579 9.67998 numMergedOcc 0
111 mol 264 unq 3 iso 1 dist 7.36703 5.91731 6.24356 5.28781 9.361 10.3202 10.3867 9.5784 9.67998 9.85579 numMergedOcc 0
