0 mol 7 unq 0 iso 0 dist 6.02702 11.8172 8.72114 6.58469 8.60435 16.4405 6.55304 6.14469 6.34041 12.4861 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.72114 11.8172 6.02702 16.4405 8.60435 6.58469 6.34041 6.14469 6.55304 12.4861 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.32257 6.14147 6.55811 9.87669 6.59455 11.4245 8.50424 7.35972 6.02809 13.7528 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.55811 6.14147 7.32257 11.4245 6.59455 9.87669 6.02809 7.35972 8.50424 13.7528 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.32257 10.5747 8.64915 9.87669 6.59455 14.7278 8.50424 7.35972 4.98827 13.7528 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 8.64915 10.5747 7.32257 14.7278 6.59455 9.87669 4.98827 7.35972 8.50424 13.7528 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 6.55811 5.06358 8.64915 11.4245 6.59455 14.7278 6.02809 7.35972 4.98827 13.7528 numMergedOcc 0
7 mol 9 unq 1 iso 1 dist 8.64915 5.06358 6.55811 14.7278 6.59455 11.4245 4.98827 7.35972 6.02809 13.7528 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 6.41575 5.80928 6.41423 5.18512 6.39966 9.47529 9.74255 9.95212 7.08342 13.9675 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 6.41423 5.80928 6.41575 9.47529 6.39966 5.18512 7.08342 9.95212 9.74255 13.9675 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 9.41441 11.4989 6.73939 11.1124 6.2004 10.2913 4.32034 8.00171 11.9112 7.72688 numMergedOcc 0
11 mol 24 unq 0 iso 1 dist 6.73939 11.4989 9.41441 10.2913 6.2004 11.1124 11.9112 8.00171 4.32034 7.72688 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 9.41441 11.4989 6.73939 11.1124 6.2004 10.2913 12.2662 5.95834 6.56748 4.82556 numMergedOcc 0
13 mol 24 unq 1 iso 1 dist 6.73939 11.4989 9.41441 10.2913 6.2004 11.1124 6.56748 5.95834 12.2662 4.82556 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 9.41441 11.4989 6.73939 11.1124 6.2004 10.2913 8.67951 4.2121 4.50066 6.25108 numMergedOcc 0
15 mol 24 unq 2 iso 1 dist 6.73939 11.4989 9.41441 10.2913 6.2004 11.1124 4.50066 4.2121 8.67951 6.25108 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 9.41441 11.4989 6.73939 11.1124 6.2004 10.2913 8.52463 6.72323 5.11617 11.8207 numMergedOcc 0
17 mol 24 unq 3 iso 1 dist 6.73939 11.4989 9.41441 10.2913 6.2004 11.1124 5.11617 6.72323 8.52463 11.8207 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 8.4051 15.5315 7.29868 4.33963 4.90592 12.0003 12.176 6.72323 6.66749 10.0715 numMergedOcc 0
19 mol 24 unq 4 iso 1 dist 7.29868 15.5315 8.4051 12.0003 4.90592 4.33963 6.66749 6.72323 12.176 10.0715 numMergedOcc 0
20 mol 24 unq 5 iso 0 dist 8.4051 15.5315 7.29868 17.4067 9.36461 6.00575 12.176 6.72323 6.66749 11.9395 numMergedOcc 0
21 mol 24 unq 5 iso 1 dist 7.29868 15.5315 8.4051 6.00575 9.36461 17.4067 6.66749 6.72323 12.176 11.9395 numMergedOcc 0
22 mol 24 unq 6 iso 0 dist 8.4051 14.6259 8.60554 4.33963 4.90592 11.2106 12.176 6.72323 14.012 10.0715 numMergedOcc 0
23 mol 24 unq 6 iso 1 dist 8.60554 14.6259 8.4051 11.2106 4.90592 4.33963 14.012 6.72323 12.176 10.0715 numMergedOcc 0
24 mol 24 unq 7 iso 0 dist 8.4051 14.6259 8.60554 17.4067 9.36461 5.97304 12.176 6.72323 14.012 11.9395 numMergedOcc 0
25 mol 24 unq 7 iso 1 dist 8.60554 14.6259 8.4051 5.97304 9.36461 17.4067 14.012 6.72323 12.176 11.9395 numMergedOcc 0
26 mol 24 unq 6 iso 0 dist 7.29868 10.0952 8.60554 12.0003 4.90592 11.2106 6.66749 6.72323 14.012 10.0715 numMergedOcc 0
27 mol 24 unq 6 iso 1 dist 8.60554 10.0952 7.29868 11.2106 4.90592 12.0003 14.012 6.72323 6.66749 10.0715 numMergedOcc 0
28 mol 24 unq 7 iso 0 dist 7.29868 10.0952 8.60554 6.00575 9.36461 5.97304 6.66749 6.72323 14.012 11.9395 numMergedOcc 0
29 mol 24 unq 7 iso 1 dist 8.60554 10.0952 7.29868 5.97304 9.36461 6.00575 14.012 6.72323 6.66749 11.9395 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 5.9465 5.04493 6.97962 5.69731 9.05259 4.14907 8.70803 6.77241 8.87994 8.0763 numMergedOcc 0
31 mol 92 unq 0 iso 1 dist 6.97962 5.04493 5.9465 4.14907 9.05259 5.69731 8.87994 6.77241 8.70803 8.0763 numMergedOcc 0
32 mol 92 unq 1 iso 0 dist 5.9465 5.04493 6.97962 5.69731 9.05259 4.14907 9.52327 5.50508 11.641 12.2082 numMergedOcc 0
33 mol 92 unq 1 iso 1 dist 6.97962 5.04493 5.9465 4.14907 9.05259 5.69731 11.641 5.50508 9.52327 12.2082 numMergedOcc 0
34 mol 92 unq 2 iso 0 dist 5.9465 9.35561 9.95342 5.69731 9.05259 11.0506 8.70803 6.77241 7.52639 8.0763 numMergedOcc 0
35 mol 92 unq 2 iso 1 dist 9.95342 9.35561 5.9465 11.0506 9.05259 5.69731 7.52639 6.77241 8.70803 8.0763 numMergedOcc 0
36 mol 92 unq 3 iso 0 dist 5.9465 9.35561 9.95342 5.69731 9.05259 11.0506 9.52327 5.50508 7.34683 12.2082 numMergedOcc 0
37 mol 92 unq 3 iso 1 dist 9.95342 9.35561 5.9465 11.0506 9.05259 5.69731 7.34683 5.50508 9.52327 12.2082 numMergedOcc 0
38 mol 92 unq 2 iso 0 dist 6.97962 12.7769 9.95342 4.14907 9.05259 11.0506 8.87994 6.77241 7.52639 8.0763 numMergedOcc 0
39 mol 92 unq 2 iso 1 dist 9.95342 12.7769 6.97962 11.0506 9.05259 4.14907 7.52639 6.77241 8.87994 8.0763 numMergedOcc 0
40 mol 92 unq 3 iso 0 dist 6.97962 12.7769 9.95342 4.14907 9.05259 11.0506 11.641 5.50508 7.34683 12.2082 numMergedOcc 0
41 mol 92 unq 3 iso 1 dist 9.95342 12.7769 6.97962 11.0506 9.05259 4.14907 7.34683 5.50508 11.641 12.2082 numMergedOcc 0
42 mol 98 unq 0 iso 0 dist 6.7117 8.40073 4.47349 7.32662 8.43352 6.934 7.94178 7.36769 9.85543 8.02554 numMergedOcc 0
43 mol 98 unq 0 iso 1 dist 4.47349 8.40073 6.7117 6.934 8.43352 7.32662 9.85543 7.36769 7.94178 8.02554 numMergedOcc 0
44 mol 98 unq 1 iso 0 dist 6.7117 8.40073 4.47349 7.32662 8.43352 6.934 4.4057 6.88901 9.67482 11.2092 numMergedOcc 0
45 mol 98 unq 1 iso 1 dist 4.47349 8.40073 6.7117 6.934 8.43352 7.32662 9.67482 6.88901 4.4057 11.2092 numMergedOcc 0
46 mol 98 unq 2 iso 0 dist 6.7117 10.2427 5.65185 7.32662 8.43352 7.17433 7.94178 7.36769 7.28361 8.02554 numMergedOcc 0
47 mol 98 unq 2 iso 1 dist 5.65185 10.2427 6.7117 7.17433 8.43352 7.32662 7.28361 7.36769 7.94178 8.02554 numMergedOcc 0
48 mol 98 unq 3 iso 0 dist 6.7117 10.2427 5.65185 7.32662 8.43352 7.17433 4.4057 6.88901 12.0974 11.2092 numMergedOcc 0
49 mol 98 unq 3 iso 1 dist 5.65185 10.2427 6.7117 7.17433 8.43352 7.32662 12.0974 6.88901 4.4057 11.2092 numMergedOcc 0
50 mol 98 unq 2 iso 0 dist 4.47349 5.02887 5.65185 6.934 8.43352 7.17433 9.85543 7.36769 7.28361 8.02554 numMergedOcc 0
51 mol 98 unq 2 iso 1 dist 5.65185 5.02887 4.47349 7.17433 8.43352 6.934 7.28361 7.36769 9.85543 8.02554 numMergedOcc 0
52 mol 98 unq 3 iso 0 dist 4.47349 5.02887 5.65185 6.934 8.43352 7.17433 9.67482 6.88901 12.0974 11.2092 numMergedOcc 0
53 mol 98 unq 3 iso 1 dist 5.65185 5.02887 4.47349 7.17433 8.43352 6.934 12.0974 6.88901 9.67482 11.2092 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 7.69991 5.00526 6.23142 13.1292 9.30061 9.4027 7.41674 6.40575 9.87376 14.2253 numMergedOcc 0
55 mol 134 unq 0 iso 1 dist 6.23142 5.00526 7.69991 9.4027 9.30061 13.1292 9.87376 6.40575 7.41674 14.2253 numMergedOcc 0
56 mol 134 unq 1 iso 0 dist 7.69991 11.3271 9.94764 13.1292 9.30061 5.12325 7.41674 6.40575 14.9876 14.2253 numMergedOcc 0
57 mol 134 unq 1 iso 1 dist 9.94764 11.3271 7.69991 5.12325 9.30061 13.1292 14.9876 6.40575 7.41674 14.2253 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 6.23142 6.81259 9.94764 9.4027 9.30061 5.12325 9.87376 6.40575 14.9876 14.2253 numMergedOcc 0
59 mol 134 unq 1 iso 1 dist 9.94764 6.81259 6.23142 5.12325 9.30061 9.4027 14.9876 6.40575 9.87376 14.2253 numMergedOcc 0
60 mol 141 unq 0 iso 0 dist 9.97343 11.4307 9.70413 13.8236 7.64956 6.30121 9.74444 9.10042 10.3716 8.69924 numMergedOcc 0
61 mol 141 unq 0 iso 1 dist 9.70413 11.4307 9.97343 6.30121 7.64956 13.8236 10.3716 9.10042 9.74444 8.69924 numMergedOcc 0
62 mol 141 unq 1 iso 0 dist 9.97343 11.4307 9.70413 13.8236 7.64956 6.30121 6.91919 9.75059 7.87881 9.41497 numMergedOcc 0
63 mol 141 unq 1 iso 1 dist 9.70413 11.4307 9.97343 6.30121 7.64956 13.8236 7.87881 9.75059 6.91919 9.41497 numMergedOcc 0
64 mol 141 unq 2 iso 0 dist 9.97343 11.4307 9.70413 13.8236 7.64956 6.30121 10.1432 6.83404 7.27731 9.53115 numMergedOcc 0
65 mol 141 unq 2 iso 1 dist 9.70413 11.4307 9.97343 6.30121 7.64956 13.8236 7.27731 6.83404 10.1432 9.53115 numMergedOcc 0
66 mol 171 unq 0 iso 0 dist 6.64834 4.91149 5.93786 6.83134 7.32555 4.44751 6.45673 7.22518 5.48551 9.8515 numMergedOcc 0
67 mol 171 unq 0 iso 1 dist 5.93786 4.91149 6.64834 4.44751 7.32555 6.83134 5.48551 7.22518 6.45673 9.8515 numMergedOcc 0
68 mol 171 unq 1 iso 0 dist 6.64834 4.91149 5.93786 6.83134 7.32555 4.44751 4.78075 5.25109 7.9651 9.54524 numMergedOcc 0
69 mol 171 unq 1 iso 1 dist 5.93786 4.91149 6.64834 4.44751 7.32555 6.83134 7.9651 5.25109 4.78075 9.54524 numMergedOcc 0
70 mol 171 unq 2 iso 0 dist 6.64834 11.6409 8.24693 6.83134 7.32555 9.61561 6.45673 7.22518 8.05069 9.8515 numMergedOcc 0
71 mol 171 unq 2 iso 1 dist 8.24693 11.6409 6.64834 9.61561 7.32555 6.83134 8.05069 7.22518 6.45673 9.8515 numMergedOcc 0
72 mol 171 unq 3 iso 0 dist 6.64834 11.6409 8.24693 6.83134 7.32555 9.61561 4.78075 5.25109 12.6853 9.54524 numMergedOcc 0
73 mol 171 unq 3 iso 1 dist 8.24693 11.6409 6.64834 9.61561 7.32555 6.83134 12.6853 5.25109 4.78075 9.54524 numMergedOcc 0
74 mol 171 unq 4 iso 0 dist 6.64834 5.51687 7.36698 6.83134 7.32555 6.66219 6.45673 7.22518 11.2785 9.8515 numMergedOcc 0
75 mol 171 unq 4 iso 1 dist 7.36698 5.51687 6.64834 6.66219 7.32555 6.83134 11.2785 7.22518 6.45673 9.8515 numMergedOcc 0
76 mol 171 unq 5 iso 0 dist 6.64834 5.51687 7.36698 6.83134 7.32555 6.66219 4.78075 5.25109 5.90026 9.54524 numMergedOcc 0
77 mol 171 unq 5 iso 1 dist 7.36698 5.51687 6.64834 6.66219 7.32555 6.83134 5.90026 5.25109 4.78075 9.54524 numMergedOcc 0
78 mol 171 unq 2 iso 0 dist 5.93786 7.31409 8.24693 4.44751 7.32555 9.61561 5.48551 7.22518 8.05069 9.8515 numMergedOcc 0
79 mol 171 unq 2 iso 1 dist 8.24693 7.31409 5.93786 9.61561 7.32555 4.44751 8.05069 7.22518 5.48551 9.8515 numMergedOcc 0
80 mol 171 unq 3 iso 0 dist 5.93786 7.31409 8.24693 4.44751 7.32555 9.61561 7.9651 5.25109 12.6853 9.54524 numMergedOcc 0
81 mol 171 unq 3 iso 1 dist 8.24693 7.31409 5.93786 9.61561 7.32555 4.44751 12.6853 5.25109 7.9651 9.54524 numMergedOcc 0
82 mol 171 unq 4 iso 0 dist 5.93786 8.07119 7.36698 4.44751 7.32555 6.66219 5.48551 7.22518 11.2785 9.8515 numMergedOcc 0
83 mol 171 unq 4 iso 1 dist 7.36698 8.07119 5.93786 6.66219 7.32555 4.44751 11.2785 7.22518 5.48551 9.8515 numMergedOcc 0
84 mol 171 unq 5 iso 0 dist 5.93786 8.07119 7.36698 4.44751 7.32555 6.66219 7.9651 5.25109 5.90026 9.54524 numMergedOcc 0
85 mol 171 unq 5 iso 1 dist 7.36698 8.07119 5.93786 6.66219 7.32555 4.44751 5.90026 5.25109 7.9651 9.54524 numMergedOcc 0
86 mol 171 unq 4 iso 0 dist 8.24693 14.1033 7.36698 9.61561 7.32555 6.66219 8.05069 7.22518 11.2785 9.8515 numMergedOcc 0
87 mol 171 unq 4 iso 1 dist 7.36698 14.1033 8.24693 6.66219 7.32555 9.61561 11.2785 7.22518 8.05069 9.8515 numMergedOcc 0
88 mol 171 unq 5 iso 0 dist 8.24693 14.1033 7.36698 9.61561 7.32555 6.66219 12.6853 5.25109 5.90026 9.54524 numMergedOcc 0
89 mol 171 unq 5 iso 1 dist 7.36698 14.1033 8.24693 6.66219 7.32555 9.61561 5.90026 5.25109 12.6853 9.54524 numMergedOcc 0
90 mol 226 unq 0 iso 0 dist 8.80683 5.16662 6.11704 10.142 6.26945 6.05184 7.92585 5.70795 7.554 6.85639 numMergedOcc 0
91 mol 226 unq 0 iso 1 dist 6.11704 5.16662 8.80683 6.05184 6.26945 10.142 7.554 5.70795 7.92585 6.85639 numMergedOcc 0
92 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 5.8023 6.57921 8.25884 6.2188 9.78181 12.5452 7.86594 numMergedOcc 0
93 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 8.25884 6.57921 5.8023 12.5452 9.78181 6.2188 7.86594 numMergedOcc 0
94 mol 232 unq 1 iso 0 dist 8.50102 6.56633 9.40808 5.8023 6.57921 8.25884 12.3508 9.8664 8.80479 13.8622 numMergedOcc 0
95 mol 232 unq 1 iso 1 dist 9.40808 6.56633 8.50102 8.25884 6.57921 5.8023 8.80479 9.8664 12.3508 13.8622 numMergedOcc 0
96 mol 274 unq 0 iso 0 dist 7.46394 10.501 9.45514 13.7877 7.79704 8.09454 11.1602 7.75216 6.52035 5.57372 numMergedOcc 0
97 mol 274 unq 0 iso 1 dist 9.45514 10.501 7.46394 8.09454 7.79704 13.7877 6.52035 7.75216 11.1602 5.57372 numMergedOcc 0
98 mol 274 unq 1 iso 0 dist 7.46394 10.501 9.45514 16.6011 9.39276 14.1363 11.1602 7.75216 6.52035 12.4711 numMergedOcc 0
99 mol 274 unq 1 iso 1 dist 9.45514 10.501 7.46394 14.1363 9.39276 16.6011 6.52035 7.75216 11.1602 12.4711 numMergedOcc 0
100 mol 274 unq 2 iso 0 dist 7.46394 14.3919 8.91672 13.7877 7.79704 6.23174 11.1602 7.75216 5.58338 5.57372 numMergedOcc 0
101 mol 274 unq 2 iso 1 dist 8.91672 14.3919 7.46394 6.23174 7.79704 13.7877 5.58338 7.75216 11.1602 5.57372 numMergedOcc 0
102 mol 274 unq 3 iso 0 dist 7.46394 14.3919 8.91672 16.6011 9.39276 10.9037 11.1602 7.75216 5.58338 12.4711 numMergedOcc 0
103 mol 274 unq 3 iso 1 dist 8.91672 14.3919 7.46394 10.9037 9.39276 16.6011 5.58338 7.75216 11.1602 12.4711 numMergedOcc 0
104 mol 274 unq 4 iso 0 dist 7.46394 6.15918 7.1729 13.7877 7.79704 10.0424 11.1602 7.75216 5.71192 5.57372 numMergedOcc 0
105 mol 274 unq 4 iso 1 dist 7.1729 6.15918 7.46394 10.0424 7.79704 13.7877 5.71192 7.75216 11.1602 5.57372 numMergedOcc 0
106 mol 274 unq 5 iso 0 dist 7.46394 6.15918 7.1729 16.6011 9.39276 15.375 11.1602 7.75216 5.71192 12.4711 numMergedOcc 0
107 mol 274 unq 5 iso 1 dist 7.1729 6.15918 7.46394 15.375 9.39276 16.6011 5.71192 7.75216 11.1602 12.4711 numMergedOcc 0
108 mol 274 unq 2 iso 0 dist 9.45514 11.7196 8.91672 8.09454 7.79704 6.23174 6.52035 7.75216 5.58338 5.57372 numMergedOcc 0
109 mol 274 unq 2 iso 1 dist 8.91672 11.7196 9.45514 6.23174 7.79704 8.09454 5.58338 7.75216 6.52035 5.57372 numMergedOcc 0
110 mol 274 unq 3 iso 0 dist 9.45514 11.7196 8.91672 14.1363 9.39276 10.9037 6.52035 7.75216 5.58338 12.4711 numMergedOcc 0
111 mol 274 unq 3 iso 1 dist 8.91672 11.7196 9.45514 10.9037 9.39276 14.1363 5.58338 7.75216 6.52035 12.4711 numMergedOcc 0
112 mol 274 unq 4 iso 0 dist 9.45514 6.828 7.1729 8.09454 7.79704 10.0424 6.52035 7.75216 5.71192 5.57372 numMergedOcc 0
113 mol 274 unq 4 iso 1 dist 7.1729 6.828 9.45514 10.0424 7.79704 8.09454 5.71192 7.75216 6.52035 5.57372 numMergedOcc 0
114 mol 274 unq 5 iso 0 dist 9.45514 6.828 7.1729 14.1363 9.39276 15.375 6.52035 7.75216 5.71192 12.4711 numMergedOcc 0
115 mol 274 unq 5 iso 1 dist 7.1729 6.828 9.45514 15.375 9.39276 14.1363 5.71192 7.75216 6.52035 12.4711 numMergedOcc 0
116 mol 274 unq 4 iso 0 dist 8.91672 10.0083 7.1729 6.23174 7.79704 10.0424 5.58338 7.75216 5.71192 5.57372 numMergedOcc 0
117 mol 274 unq 4 iso 1 dist 7.1729 10.0083 8.91672 10.0424 7.79704 6.23174 5.71192 7.75216 5.58338 5.57372 numMergedOcc 0
118 mol 274 unq 5 iso 0 dist 8.91672 10.0083 7.1729 10.9037 9.39276 15.375 5.58338 7.75216 5.71192 12.4711 numMergedOcc 0
119 mol 274 unq 5 iso 1 dist 7.1729 10.0083 8.91672 15.375 9.39276 10.9037 5.71192 7.75216 5.58338 12.4711 numMergedOcc 0
120 mol 274 unq 6 iso 0 dist 8.52587 11.3308 6.39866 5.90436 8.2997 10.4342 6.20558 6.88827 6.16703 5.36428 numMergedOcc 0
121 mol 274 unq 6 iso 1 dist 6.39866 11.3308 8.52587 10.4342 8.2997 5.90436 6.16703 6.88827 6.20558 5.36428 numMergedOcc 0
122 mol 274 unq 7 iso 0 dist 8.52587 11.3308 6.39866 5.90436 8.2997 10.4342 16.3619 9.16942 5.64601 14.986 numMergedOcc 0
123 mol 274 unq 7 iso 1 dist 6.39866 11.3308 8.52587 10.4342 8.2997 5.90436 5.64601 9.16942 16.3619 14.986 numMergedOcc 0
