0 mol 48 unq 0 iso 0 dist 8.29857 6.28603 6.17529 12.4707 8.12997 13.0969 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 8.29857 8.12997 12.4707 6.17529 6.28603 13.0969 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.29857 6.28603 6.17529 8.98812 6.13153 9.93675 numMergedOcc 0
3 mol 48 unq 1 iso 1 dist 8.29857 6.13153 8.98812 6.17529 6.28603 9.93675 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.29857 6.28603 6.17529 3.50984 5.7836 5.54472 numMergedOcc 0
5 mol 48 unq 2 iso 1 dist 8.29857 5.7836 3.50984 6.17529 6.28603 5.54472 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 8.29857 6.28603 6.17529 11.7253 7.32996 12.558 numMergedOcc 0
7 mol 48 unq 3 iso 1 dist 8.29857 7.32996 11.7253 6.17529 6.28603 12.558 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 8.29857 6.28603 6.17529 12.69 5.89173 12.0538 numMergedOcc 0
9 mol 48 unq 4 iso 1 dist 8.29857 5.89173 12.69 6.17529 6.28603 12.0538 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 8.29857 8.80303 9.78584 12.4707 8.12997 16.8952 numMergedOcc 0
11 mol 48 unq 5 iso 1 dist 8.29857 8.12997 12.4707 9.78584 8.80303 16.8952 numMergedOcc 0
12 mol 48 unq 6 iso 0 dist 8.29857 8.80303 9.78584 8.98812 6.13153 13.7233 numMergedOcc 0
13 mol 48 unq 6 iso 1 dist 8.29857 6.13153 8.98812 9.78584 8.80303 13.7233 numMergedOcc 0
14 mol 48 unq 7 iso 0 dist 8.29857 8.80303 9.78584 3.50984 5.7836 8.62369 numMergedOcc 0
15 mol 48 unq 7 iso 1 dist 8.29857 5.7836 3.50984 9.78584 8.80303 8.62369 numMergedOcc 0
16 mol 48 unq 8 iso 0 dist 8.29857 8.80303 9.78584 11.7253 7.32996 15.9863 numMergedOcc 0
17 mol 48 unq 8 iso 1 dist 8.29857 7.32996 11.7253 9.78584 8.80303 15.9863 numMergedOcc 0
18 mol 48 unq 9 iso 0 dist 8.29857 8.80303 9.78584 12.69 5.89173 15.6455 numMergedOcc 0
19 mol 48 unq 9 iso 1 dist 8.29857 5.89173 12.69 9.78584 8.80303 15.6455 numMergedOcc 0
20 mol 48 unq 10 iso 0 dist 8.29857 7.11491 11.505 12.4707 8.12997 17.8471 numMergedOcc 0
21 mol 48 unq 10 iso 1 dist 8.29857 8.12997 12.4707 11.505 7.11491 17.8471 numMergedOcc 0
22 mol 48 unq 11 iso 0 dist 8.29857 7.11491 11.505 8.98812 6.13153 14.8399 numMergedOcc 0
23 mol 48 unq 11 iso 1 dist 8.29857 6.13153 8.98812 11.505 7.11491 14.8399 numMergedOcc 0
24 mol 48 unq 12 iso 0 dist 8.29857 7.11491 11.505 3.50984 5.7836 6.5241 numMergedOcc 0
25 mol 48 unq 12 iso 1 dist 8.29857 5.7836 3.50984 11.505 7.11491 6.5241 numMergedOcc 0
26 mol 48 unq 13 iso 0 dist 8.29857 7.11491 11.505 11.7253 7.32996 13.5272 numMergedOcc 0
27 mol 48 unq 13 iso 1 dist 8.29857 7.32996 11.7253 11.505 7.11491 13.5272 numMergedOcc 0
28 mol 48 unq 14 iso 0 dist 8.29857 7.11491 11.505 12.69 5.89173 15.8172 numMergedOcc 0
29 mol 48 unq 14 iso 1 dist 8.29857 5.89173 12.69 11.505 7.11491 15.8172 numMergedOcc 0
30 mol 48 unq 15 iso 0 dist 8.19993 5.73454 6.30002 12.5401 7.84895 12.943 numMergedOcc 0
31 mol 48 unq 15 iso 1 dist 8.19993 7.84895 12.5401 6.30002 5.73454 12.943 numMergedOcc 0
32 mol 48 unq 16 iso 0 dist 8.19993 5.73454 6.30002 9.01489 5.8541 9.764 numMergedOcc 0
33 mol 48 unq 16 iso 1 dist 8.19993 5.8541 9.01489 6.30002 5.73454 9.764 numMergedOcc 0
34 mol 48 unq 17 iso 0 dist 8.19993 5.73454 6.30002 3.65036 5.82264 5.37439 numMergedOcc 0
35 mol 48 unq 17 iso 1 dist 8.19993 5.82264 3.65036 6.30002 5.73454 5.37439 numMergedOcc 0
36 mol 48 unq 18 iso 0 dist 8.19993 5.73454 6.30002 11.7978 7.20729 12.4894 numMergedOcc 0
37 mol 48 unq 18 iso 1 dist 8.19993 7.20729 11.7978 6.30002 5.73454 12.4894 numMergedOcc 0
38 mol 48 unq 19 iso 0 dist 8.19993 5.73454 6.30002 12.5721 5.72703 11.9997 numMergedOcc 0
39 mol 48 unq 19 iso 1 dist 8.19993 5.72703 12.5721 6.30002 5.73454 11.9997 numMergedOcc 0
40 mol 48 unq 20 iso 0 dist 8.19993 8.2012 9.72383 12.5401 7.84895 16.5202 numMergedOcc 0
41 mol 48 unq 20 iso 1 dist 8.19993 7.84895 12.5401 9.72383 8.2012 16.5202 numMergedOcc 0
42 mol 48 unq 21 iso 0 dist 8.19993 8.2012 9.72383 9.01489 5.8541 13.3555 numMergedOcc 0
43 mol 48 unq 21 iso 1 dist 8.19993 5.8541 9.01489 9.72383 8.2012 13.3555 numMergedOcc 0
44 mol 48 unq 22 iso 0 dist 8.19993 8.2012 9.72383 3.65036 5.82264 8.3714 numMergedOcc 0
45 mol 48 unq 22 iso 1 dist 8.19993 5.82264 3.65036 9.72383 8.2012 8.3714 numMergedOcc 0
46 mol 48 unq 23 iso 0 dist 8.19993 8.2012 9.72383 11.7978 7.20729 15.8159 numMergedOcc 0
47 mol 48 unq 23 iso 1 dist 8.19993 7.20729 11.7978 9.72383 8.2012 15.8159 numMergedOcc 0
48 mol 48 unq 24 iso 0 dist 8.19993 8.2012 9.72383 12.5721 5.72703 15.433 numMergedOcc 0
49 mol 48 unq 24 iso 1 dist 8.19993 5.72703 12.5721 9.72383 8.2012 15.433 numMergedOcc 0
50 mol 48 unq 25 iso 0 dist 8.19993 7.1829 11.5388 12.5401 7.84895 17.8166 numMergedOcc 0
51 mol 48 unq 25 iso 1 dist 8.19993 7.84895 12.5401 11.5388 7.1829 17.8166 numMergedOcc 0
52 mol 48 unq 26 iso 0 dist 8.19993 7.1829 11.5388 9.01489 5.8541 14.8013 numMergedOcc 0
53 mol 48 unq 26 iso 1 dist 8.19993 5.8541 9.01489 11.5388 7.1829 14.8013 numMergedOcc 0
54 mol 48 unq 27 iso 0 dist 8.19993 7.1829 11.5388 3.65036 5.82264 6.36817 numMergedOcc 0
55 mol 48 unq 27 iso 1 dist 8.19993 5.82264 3.65036 11.5388 7.1829 6.36817 numMergedOcc 0
56 mol 48 unq 28 iso 0 dist 8.19993 7.1829 11.5388 11.7978 7.20729 13.401 numMergedOcc 0
57 mol 48 unq 28 iso 1 dist 8.19993 7.20729 11.7978 11.5388 7.1829 13.401 numMergedOcc 0
58 mol 48 unq 29 iso 0 dist 8.19993 7.1829 11.5388 12.5721 5.72703 15.6646 numMergedOcc 0
59 mol 48 unq 29 iso 1 dist 8.19993 5.72703 12.5721 11.5388 7.1829 15.6646 numMergedOcc 0
60 mol 54 unq 0 iso 0 dist 9.17082 5.27979 10.1434 10.1455 8.75957 10.2786 numMergedOcc 0
61 mol 54 unq 0 iso 1 dist 9.17082 8.75957 10.1455 10.1434 5.27979 10.2786 numMergedOcc 0
62 mol 79 unq 0 iso 0 dist 9.78384 7.56495 13.2204 5.84075 6.86517 12.5398 numMergedOcc 0
63 mol 79 unq 0 iso 1 dist 9.78384 6.86517 5.84075 13.2204 7.56495 12.5398 numMergedOcc 0
64 mol 79 unq 1 iso 0 dist 9.78384 7.63923 10.8598 5.84075 6.86517 10.5441 numMergedOcc 0
65 mol 79 unq 1 iso 1 dist 9.78384 6.86517 5.84075 10.8598 7.63923 10.5441 numMergedOcc 0
66 mol 79 unq 2 iso 0 dist 9.78384 8.23095 8.81685 5.84075 6.86517 10.8758 numMergedOcc 0
67 mol 79 unq 2 iso 1 dist 9.78384 6.86517 5.84075 8.81685 8.23095 10.8758 numMergedOcc 0
68 mol 79 unq 3 iso 0 dist 8.03296 6.2576 6.07693 8.85563 9.99805 10.5782 numMergedOcc 0
69 mol 79 unq 3 iso 1 dist 8.03296 9.99805 8.85563 6.07693 6.2576 10.5782 numMergedOcc 0
70 mol 79 unq 4 iso 0 dist 8.03296 6.2576 6.07693 4.37918 8.84225 4.15789 numMergedOcc 0
71 mol 79 unq 4 iso 1 dist 8.03296 8.84225 4.37918 6.07693 6.2576 4.15789 numMergedOcc 0
72 mol 79 unq 5 iso 0 dist 5.82754 8.96069 6.07693 6.01885 9.99805 10.5782 numMergedOcc 0
73 mol 79 unq 5 iso 1 dist 5.82754 9.99805 6.01885 6.07693 8.96069 10.5782 numMergedOcc 0
74 mol 79 unq 6 iso 0 dist 5.82754 8.96069 6.07693 9.08423 8.84225 4.15789 numMergedOcc 0
75 mol 79 unq 6 iso 1 dist 5.82754 8.84225 9.08423 6.07693 8.96069 4.15789 numMergedOcc 0
76 mol 79 unq 7 iso 0 dist 8.87742 7.56495 6.07693 3.94192 9.99805 10.5782 numMergedOcc 0
77 mol 79 unq 7 iso 1 dist 8.87742 9.99805 3.94192 6.07693 7.56495 10.5782 numMergedOcc 0
78 mol 79 unq 8 iso 0 dist 8.87742 7.56495 6.07693 6.29733 8.84225 4.15789 numMergedOcc 0
79 mol 79 unq 8 iso 1 dist 8.87742 8.84225 6.29733 6.07693 7.56495 4.15789 numMergedOcc 0
80 mol 79 unq 9 iso 0 dist 8.87742 7.63923 10.8556 3.94192 9.99805 11.4924 numMergedOcc 0
81 mol 79 unq 9 iso 1 dist 8.87742 9.99805 3.94192 10.8556 7.63923 11.4924 numMergedOcc 0
82 mol 79 unq 10 iso 0 dist 8.87742 7.63923 10.8556 6.29733 8.84225 4.808 numMergedOcc 0
83 mol 79 unq 10 iso 1 dist 8.87742 8.84225 6.29733 10.8556 7.63923 4.808 numMergedOcc 0
84 mol 79 unq 11 iso 0 dist 8.87742 8.23095 6.94036 3.94192 9.99805 10.7421 numMergedOcc 0
85 mol 79 unq 11 iso 1 dist 8.87742 9.99805 3.94192 6.94036 8.23095 10.7421 numMergedOcc 0
86 mol 79 unq 12 iso 0 dist 8.87742 8.23095 6.94036 6.29733 8.84225 10.0957 numMergedOcc 0
87 mol 79 unq 12 iso 1 dist 8.87742 8.84225 6.29733 6.94036 8.23095 10.0957 numMergedOcc 0
88 mol 79 unq 13 iso 0 dist 9.26979 6.2576 5.25584 13.333 8.33791 12.5398 numMergedOcc 0
89 mol 79 unq 13 iso 1 dist 9.26979 8.33791 13.333 5.25584 6.2576 12.5398 numMergedOcc 0
90 mol 79 unq 14 iso 0 dist 9.26979 6.2576 5.25584 10.3746 7.38548 9.56766 numMergedOcc 0
91 mol 79 unq 14 iso 1 dist 9.26979 7.38548 10.3746 5.25584 6.2576 9.56766 numMergedOcc 0
92 mol 79 unq 15 iso 0 dist 9.26979 6.2576 5.25584 8.85563 8.2992 10.5782 numMergedOcc 0
93 mol 79 unq 15 iso 1 dist 9.26979 8.2992 8.85563 5.25584 6.2576 10.5782 numMergedOcc 0
94 mol 79 unq 16 iso 0 dist 9.26979 6.2576 5.25584 4.37918 6.72546 4.15789 numMergedOcc 0
95 mol 79 unq 16 iso 1 dist 9.26979 6.72546 4.37918 5.25584 6.2576 4.15789 numMergedOcc 0
96 mol 79 unq 17 iso 0 dist 9.05679 8.96069 5.25584 12.313 8.33791 12.5398 numMergedOcc 0
97 mol 79 unq 17 iso 1 dist 9.05679 8.33791 12.313 5.25584 8.96069 12.5398 numMergedOcc 0
98 mol 79 unq 18 iso 0 dist 9.05679 8.96069 5.25584 12.3366 7.38548 9.56766 numMergedOcc 0
99 mol 79 unq 18 iso 1 dist 9.05679 7.38548 12.3366 5.25584 8.96069 9.56766 numMergedOcc 0
100 mol 79 unq 19 iso 0 dist 9.05679 8.96069 5.25584 6.01885 8.2992 10.5782 numMergedOcc 0
101 mol 79 unq 19 iso 1 dist 9.05679 8.2992 6.01885 5.25584 8.96069 10.5782 numMergedOcc 0
102 mol 79 unq 20 iso 0 dist 9.05679 8.96069 5.25584 9.08423 6.72546 4.15789 numMergedOcc 0
103 mol 79 unq 20 iso 1 dist 9.05679 6.72546 9.08423 5.25584 8.96069 4.15789 numMergedOcc 0
104 mol 79 unq 21 iso 0 dist 4.93468 7.56495 5.25584 5.84075 8.33791 12.5398 numMergedOcc 0
105 mol 79 unq 21 iso 1 dist 4.93468 8.33791 5.84075 5.25584 7.56495 12.5398 numMergedOcc 0
106 mol 79 unq 22 iso 0 dist 4.93468 7.56495 5.25584 5.41884 7.38548 9.56766 numMergedOcc 0
107 mol 79 unq 22 iso 1 dist 4.93468 7.38548 5.41884 5.25584 7.56495 9.56766 numMergedOcc 0
108 mol 79 unq 23 iso 0 dist 4.93468 7.56495 5.25584 3.94192 8.2992 10.5782 numMergedOcc 0
109 mol 79 unq 23 iso 1 dist 4.93468 8.2992 3.94192 5.25584 7.56495 10.5782 numMergedOcc 0
110 mol 79 unq 24 iso 0 dist 4.93468 7.56495 5.25584 6.29733 6.72546 4.15789 numMergedOcc 0
111 mol 79 unq 24 iso 1 dist 4.93468 6.72546 6.29733 5.25584 7.56495 4.15789 numMergedOcc 0
112 mol 79 unq 25 iso 0 dist 4.93468 7.63923 5.79629 5.84075 8.33791 10.5441 numMergedOcc 0
113 mol 79 unq 25 iso 1 dist 4.93468 8.33791 5.84075 5.79629 7.63923 10.5441 numMergedOcc 0
114 mol 79 unq 26 iso 0 dist 4.93468 7.63923 5.79629 5.41884 7.38548 6.20144 numMergedOcc 0
115 mol 79 unq 26 iso 1 dist 4.93468 7.38548 5.41884 5.79629 7.63923 6.20144 numMergedOcc 0
116 mol 79 unq 27 iso 0 dist 4.93468 7.63923 5.79629 3.94192 8.2992 11.4924 numMergedOcc 0
117 mol 79 unq 27 iso 1 dist 4.93468 8.2992 3.94192 5.79629 7.63923 11.4924 numMergedOcc 0
118 mol 79 unq 28 iso 0 dist 4.93468 7.63923 5.79629 6.29733 6.72546 4.808 numMergedOcc 0
119 mol 79 unq 28 iso 1 dist 4.93468 6.72546 6.29733 5.79629 7.63923 4.808 numMergedOcc 0
120 mol 79 unq 29 iso 0 dist 4.93468 8.23095 3.90527 5.84075 8.33791 10.8758 numMergedOcc 0
121 mol 79 unq 29 iso 1 dist 4.93468 8.33791 5.84075 3.90527 8.23095 10.8758 numMergedOcc 0
122 mol 79 unq 30 iso 0 dist 4.93468 8.23095 3.90527 5.41884 7.38548 11.082 numMergedOcc 0
123 mol 79 unq 30 iso 1 dist 4.93468 7.38548 5.41884 3.90527 8.23095 11.082 numMergedOcc 0
124 mol 79 unq 31 iso 0 dist 4.93468 8.23095 3.90527 3.94192 8.2992 10.7421 numMergedOcc 0
125 mol 79 unq 31 iso 1 dist 4.93468 8.2992 3.94192 3.90527 8.23095 10.7421 numMergedOcc 0
126 mol 79 unq 32 iso 0 dist 4.93468 8.23095 3.90527 6.29733 6.72546 10.0957 numMergedOcc 0
127 mol 79 unq 32 iso 1 dist 4.93468 6.72546 6.29733 3.90527 8.23095 10.0957 numMergedOcc 0
128 mol 92 unq 0 iso 0 dist 5.50508 6.89071 3.98877 9.18008 8.4219 8.10623 numMergedOcc 0
129 mol 92 unq 0 iso 1 dist 5.50508 8.4219 9.18008 3.98877 6.89071 8.10623 numMergedOcc 0
130 mol 113 unq 0 iso 0 dist 6.6317 7.40338 13.2601 5.40648 9.62952 9.75234 numMergedOcc 0
131 mol 113 unq 0 iso 1 dist 6.6317 9.62952 5.40648 13.2601 7.40338 9.75234 numMergedOcc 0
132 mol 131 unq 0 iso 0 dist 5.87084 7.84546 4.60864 4.94367 8.47526 7.53342 numMergedOcc 0
133 mol 131 unq 0 iso 1 dist 5.87084 8.47526 4.94367 4.60864 7.84546 7.53342 numMergedOcc 0
134 mol 141 unq 0 iso 0 dist 9.83945 9.59109 3.80087 13.8739 4.92382 4.88514 numMergedOcc 0
135 mol 141 unq 0 iso 1 dist 9.83945 4.92382 13.8739 3.80087 9.59109 4.88514 numMergedOcc 0
136 mol 141 unq 1 iso 0 dist 6.75376 9.59109 3.80763 5.59893 8.40695 10.3516 numMergedOcc 0
137 mol 141 unq 1 iso 1 dist 6.75376 8.40695 5.59893 3.80763 9.59109 10.3516 numMergedOcc 0
138 mol 141 unq 2 iso 0 dist 6.75376 9.59109 3.80763 3.89483 9.35867 12.6128 numMergedOcc 0
139 mol 141 unq 2 iso 1 dist 6.75376 9.35867 3.89483 3.80763 9.59109 12.6128 numMergedOcc 0
140 mol 141 unq 3 iso 0 dist 9.10042 9.59109 9.98068 3.89483 9.38036 12.6128 numMergedOcc 0
141 mol 141 unq 3 iso 1 dist 9.10042 9.38036 3.89483 9.98068 9.59109 12.6128 numMergedOcc 0
142 mol 287 unq 0 iso 0 dist 6.95912 7.99204 5.75106 5.9468 9.23152 10.9435 numMergedOcc 0
143 mol 287 unq 0 iso 1 dist 6.95912 9.23152 5.9468 5.75106 7.99204 10.9435 numMergedOcc 0
144 mol 288 unq 0 iso 0 dist 6.95912 7.99204 5.75106 5.9468 9.23152 10.9435 numMergedOcc 0
145 mol 288 unq 0 iso 1 dist 6.95912 9.23152 5.9468 5.75106 7.99204 10.9435 numMergedOcc 0
146 mol 289 unq 0 iso 0 dist 6.95912 7.99204 5.75106 5.9468 9.23152 10.9435 numMergedOcc 0
147 mol 289 unq 0 iso 1 dist 6.95912 9.23152 5.9468 5.75106 7.99204 10.9435 numMergedOcc 0
