0 mol 25 unq 0 iso 0 dist 7.31767 6.03987 4.51512 7.685 8.43188 10.3635 5.81959 7.63409 8.4666 9.96732 7.6114 6.10919 5.86705 7.1845 11.4877 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 5.81959 8.4666 7.63409 9.96732 7.6114 5.86705 6.10919 7.1845 11.4877 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 9.44459 5.73693 11.6164 5.94047 9.33906 6.42339 5.1274 6.00679 10.7651 numMergedOcc 0
3 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 9.44459 11.6164 5.73693 5.94047 9.33906 5.1274 6.42339 6.00679 10.7651 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 7.04044 15.7304 8.26458 11.2505 9.73086 17.4121 5.70116 6.15714 7.8972 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 7.04044 8.26458 15.7304 11.2505 9.73086 5.70116 17.4121 6.15714 7.8972 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 7.04044 15.7304 8.35241 11.2505 9.73086 17.4121 14.844 6.15714 7.8972 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 7.04044 8.35241 15.7304 11.2505 9.73086 14.844 17.4121 6.15714 7.8972 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 7.04044 8.26458 8.35241 11.2505 9.73086 5.70116 14.844 6.15714 7.8972 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 7.04044 8.35241 8.26458 11.2505 9.73086 14.844 5.70116 6.15714 7.8972 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 9.00544 11.8512 14.9392 14.6145 7.82475 5.43561 5.9143 12.5061 11.3766 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 9.00544 14.9392 11.8512 14.6145 7.82475 5.9143 5.43561 12.5061 11.3766 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 9.00544 11.8512 14.9392 14.6145 5.35782 6.30222 5.47563 12.1093 10.5056 numMergedOcc 0
13 mol 100 unq 1 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 9.00544 14.9392 11.8512 14.6145 5.35782 5.47563 6.30222 12.1093 10.5056 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 7.12017 9.52882 12.6602 6.00843 7.82475 5.43561 5.9143 12.5061 13.4027 numMergedOcc 0
15 mol 100 unq 2 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.12017 12.6602 9.52882 6.00843 7.82475 5.9143 5.43561 12.5061 13.4027 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 7.12017 9.52882 12.6602 6.00843 5.35782 6.30222 5.47563 12.1093 12.068 numMergedOcc 0
17 mol 100 unq 3 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.12017 12.6602 9.52882 6.00843 5.35782 5.47563 6.30222 12.1093 12.068 numMergedOcc 0
18 mol 100 unq 4 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 9.00544 11.8512 9.01214 14.6145 7.82475 5.43561 5.25234 12.5061 11.3766 numMergedOcc 0
19 mol 100 unq 4 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 9.00544 9.01214 11.8512 14.6145 7.82475 5.25234 5.43561 12.5061 11.3766 numMergedOcc 0
20 mol 100 unq 5 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 9.00544 11.8512 9.01214 14.6145 5.35782 6.30222 5.03232 12.1093 10.5056 numMergedOcc 0
21 mol 100 unq 5 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 9.00544 9.01214 11.8512 14.6145 5.35782 5.03232 6.30222 12.1093 10.5056 numMergedOcc 0
22 mol 100 unq 6 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 7.12017 9.52882 14.8674 6.00843 7.82475 5.43561 5.25234 12.5061 13.4027 numMergedOcc 0
23 mol 100 unq 6 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 7.12017 14.8674 9.52882 6.00843 7.82475 5.25234 5.43561 12.5061 13.4027 numMergedOcc 0
24 mol 100 unq 7 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 7.12017 9.52882 14.8674 6.00843 5.35782 6.30222 5.03232 12.1093 12.068 numMergedOcc 0
25 mol 100 unq 7 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 7.12017 14.8674 9.52882 6.00843 5.35782 5.03232 6.30222 12.1093 12.068 numMergedOcc 0
26 mol 100 unq 4 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 9.00544 14.9392 9.01214 14.6145 7.82475 5.9143 5.25234 12.5061 11.3766 numMergedOcc 0
27 mol 100 unq 4 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 9.00544 9.01214 14.9392 14.6145 7.82475 5.25234 5.9143 12.5061 11.3766 numMergedOcc 0
28 mol 100 unq 5 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 9.00544 14.9392 9.01214 14.6145 5.35782 5.47563 5.03232 12.1093 10.5056 numMergedOcc 0
29 mol 100 unq 5 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 9.00544 9.01214 14.9392 14.6145 5.35782 5.03232 5.47563 12.1093 10.5056 numMergedOcc 0
30 mol 100 unq 6 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.12017 12.6602 14.8674 6.00843 7.82475 5.9143 5.25234 12.5061 13.4027 numMergedOcc 0
31 mol 100 unq 6 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 7.12017 14.8674 12.6602 6.00843 7.82475 5.25234 5.9143 12.5061 13.4027 numMergedOcc 0
32 mol 100 unq 7 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.12017 12.6602 14.8674 6.00843 5.35782 5.47563 5.03232 12.1093 12.068 numMergedOcc 0
33 mol 100 unq 7 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 7.12017 14.8674 12.6602 6.00843 5.35782 5.03232 5.47563 12.1093 12.068 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 5.72642 5.61704 6.4497 5.87507 7.69765 10.3209 4.48636 9.13361 7.27912 numMergedOcc 0
35 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 5.72642 6.4497 5.61704 5.87507 7.69765 4.48636 10.3209 9.13361 7.27912 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 5.72642 5.61704 6.4497 5.87507 9.42082 15.3161 6.63111 6.49835 10.5109 numMergedOcc 0
37 mol 115 unq 1 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 5.72642 6.4497 5.61704 5.87507 9.42082 6.63111 15.3161 6.49835 10.5109 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 5.72642 5.61704 7.3094 5.87507 7.69765 10.3209 11.835 9.13361 7.27912 numMergedOcc 0
39 mol 115 unq 2 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 5.72642 7.3094 5.61704 5.87507 7.69765 11.835 10.3209 9.13361 7.27912 numMergedOcc 0
40 mol 115 unq 3 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 5.72642 5.61704 7.3094 5.87507 9.42082 15.3161 6.07067 6.49835 10.5109 numMergedOcc 0
41 mol 115 unq 3 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 5.72642 7.3094 5.61704 5.87507 9.42082 6.07067 15.3161 6.49835 10.5109 numMergedOcc 0
42 mol 115 unq 2 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 5.72642 6.4497 7.3094 5.87507 7.69765 4.48636 11.835 9.13361 7.27912 numMergedOcc 0
43 mol 115 unq 2 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 5.72642 7.3094 6.4497 5.87507 7.69765 11.835 4.48636 9.13361 7.27912 numMergedOcc 0
44 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 5.72642 6.4497 7.3094 5.87507 9.42082 6.63111 6.07067 6.49835 10.5109 numMergedOcc 0
45 mol 115 unq 3 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 5.72642 7.3094 6.4497 5.87507 9.42082 6.07067 6.63111 6.49835 10.5109 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.20836 9.4027 5.12325 9.65798 7.21868 8.06642 4.00092 5.67107 4.935 numMergedOcc 0
47 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 8.20836 5.12325 9.4027 9.65798 7.21868 4.00092 8.06642 5.67107 4.935 numMergedOcc 0
48 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 9.17106 12.6057 8.38032 5.14959 7.81207 4.67662 5.81599 5.26247 9.38687 numMergedOcc 0
49 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 9.17106 8.38032 12.6057 5.14959 7.81207 5.81599 4.67662 5.26247 9.38687 numMergedOcc 0
50 mol 142 unq 1 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 9.17106 12.6057 8.38032 5.14959 7.18002 13.5913 9.99555 12.2806 11.093 numMergedOcc 0
51 mol 142 unq 1 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 9.17106 8.38032 12.6057 5.14959 7.18002 9.99555 13.5913 12.2806 11.093 numMergedOcc 0
52 mol 142 unq 2 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 9.17106 12.6057 8.16815 5.14959 7.81207 4.67662 11.1 5.26247 9.38687 numMergedOcc 0
53 mol 142 unq 2 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 9.17106 8.16815 12.6057 5.14959 7.81207 11.1 4.67662 5.26247 9.38687 numMergedOcc 0
54 mol 142 unq 3 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 9.17106 12.6057 8.16815 5.14959 7.18002 13.5913 6.52253 12.2806 11.093 numMergedOcc 0
55 mol 142 unq 3 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 9.17106 8.16815 12.6057 5.14959 7.18002 6.52253 13.5913 12.2806 11.093 numMergedOcc 0
56 mol 142 unq 2 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 9.17106 8.38032 8.16815 5.14959 7.81207 5.81599 11.1 5.26247 9.38687 numMergedOcc 0
57 mol 142 unq 2 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 9.17106 8.16815 8.38032 5.14959 7.81207 11.1 5.81599 5.26247 9.38687 numMergedOcc 0
58 mol 142 unq 3 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 9.17106 8.38032 8.16815 5.14959 7.18002 9.99555 6.52253 12.2806 11.093 numMergedOcc 0
59 mol 142 unq 3 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 9.17106 8.16815 8.38032 5.14959 7.18002 6.52253 9.99555 12.2806 11.093 numMergedOcc 0
60 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 8.96511 10.5783 5.96647 4.92088 10.1489 8.27339 7.07052 9.11204 8.44333 6.8202 5.87125 7.79894 numMergedOcc 0
61 mol 178 unq 0 iso 1 dist 6.43573 6.69288 5.34677 8.96511 5.96647 10.5783 4.92088 8.27339 10.1489 7.07052 9.11204 6.8202 8.44333 5.87125 7.79894 numMergedOcc 0
62 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 8.96511 10.5783 12.075 4.92088 10.1489 9.79302 7.07052 9.11204 8.44333 14.9499 5.87125 7.79894 numMergedOcc 0
63 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 8.96511 12.075 10.5783 4.92088 9.79302 10.1489 7.07052 9.11204 14.9499 8.44333 5.87125 7.79894 numMergedOcc 0
64 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 8.96511 10.5783 9.92132 4.92088 10.1489 8.65097 7.07052 9.11204 8.44333 14.2467 5.87125 7.79894 numMergedOcc 0
65 mol 178 unq 2 iso 1 dist 8.81551 6.69288 14.0703 8.96511 9.92132 10.5783 4.92088 8.65097 10.1489 7.07052 9.11204 14.2467 8.44333 5.87125 7.79894 numMergedOcc 0
66 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 8.96511 5.96647 12.075 4.92088 8.27339 9.79302 7.07052 9.11204 6.8202 14.9499 5.87125 7.79894 numMergedOcc 0
67 mol 178 unq 1 iso 1 dist 7.17202 6.43573 9.89739 8.96511 12.075 5.96647 4.92088 9.79302 8.27339 7.07052 9.11204 14.9499 6.8202 5.87125 7.79894 numMergedOcc 0
68 mol 178 unq 2 iso 0 dist 6.43573 8.81551 10.5529 8.96511 5.96647 9.92132 4.92088 8.27339 8.65097 7.07052 9.11204 6.8202 14.2467 5.87125 7.79894 numMergedOcc 0
69 mol 178 unq 2 iso 1 dist 8.81551 6.43573 10.5529 8.96511 9.92132 5.96647 4.92088 8.65097 8.27339 7.07052 9.11204 14.2467 6.8202 5.87125 7.79894 numMergedOcc 0
70 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 8.96511 12.075 9.92132 4.92088 9.79302 8.65097 7.07052 9.11204 14.9499 14.2467 5.87125 7.79894 numMergedOcc 0
71 mol 178 unq 2 iso 1 dist 8.81551 7.17202 5.18005 8.96511 9.92132 12.075 4.92088 8.65097 9.79302 7.07052 9.11204 14.2467 14.9499 5.87125 7.79894 numMergedOcc 0
72 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 5.90931 5.09262 12.9483 6.85441 8.17229 5.74707 10.7974 7.9133 10.7169 5.57347 11.2106 9.54203 numMergedOcc 0
73 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 5.90931 12.9483 5.09262 6.85441 5.74707 8.17229 10.7974 7.9133 5.57347 10.7169 11.2106 9.54203 numMergedOcc 0
74 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 6.97182 6.16485 5.33565 6.38157 7.38025 9.35273 9.26037 7.46481 11.4955 8.459 11.357 5.73082 numMergedOcc 0
75 mol 214 unq 0 iso 1 dist 7.14453 9.65138 9.10746 6.97182 5.33565 6.16485 6.38157 9.35273 7.38025 9.26037 7.46481 8.459 11.4955 11.357 5.73082 numMergedOcc 0
76 mol 214 unq 1 iso 0 dist 9.65138 7.14453 9.10746 6.1175 11.5712 5.06792 6.38157 7.38025 9.35273 11.353 7.46481 11.4955 8.459 10.9581 5.73082 numMergedOcc 0
77 mol 214 unq 1 iso 1 dist 7.14453 9.65138 9.10746 6.1175 5.06792 11.5712 6.38157 9.35273 7.38025 11.353 7.46481 8.459 11.4955 10.9581 5.73082 numMergedOcc 0
78 mol 214 unq 2 iso 0 dist 9.65138 8.85478 4.40923 6.97182 6.16485 8.47007 6.38157 7.38025 5.63388 9.26037 7.46481 11.4955 11.1534 11.357 5.73082 numMergedOcc 0
79 mol 214 unq 2 iso 1 dist 8.85478 9.65138 4.40923 6.97182 8.47007 6.16485 6.38157 5.63388 7.38025 9.26037 7.46481 11.1534 11.4955 11.357 5.73082 numMergedOcc 0
80 mol 214 unq 3 iso 0 dist 9.65138 8.85478 4.40923 6.1175 11.5712 12.8334 6.38157 7.38025 5.63388 11.353 7.46481 11.4955 11.1534 10.9581 5.73082 numMergedOcc 0
81 mol 214 unq 3 iso 1 dist 8.85478 9.65138 4.40923 6.1175 12.8334 11.5712 6.38157 5.63388 7.38025 11.353 7.46481 11.1534 11.4955 10.9581 5.73082 numMergedOcc 0
82 mol 214 unq 2 iso 0 dist 7.14453 8.85478 11.3796 6.97182 5.33565 8.47007 6.38157 9.35273 5.63388 9.26037 7.46481 8.459 11.1534 11.357 5.73082 numMergedOcc 0
83 mol 214 unq 2 iso 1 dist 8.85478 7.14453 11.3796 6.97182 8.47007 5.33565 6.38157 5.63388 9.35273 9.26037 7.46481 11.1534 8.459 11.357 5.73082 numMergedOcc 0
84 mol 214 unq 3 iso 0 dist 7.14453 8.85478 11.3796 6.1175 5.06792 12.8334 6.38157 9.35273 5.63388 11.353 7.46481 8.459 11.1534 10.9581 5.73082 numMergedOcc 0
85 mol 214 unq 3 iso 1 dist 8.85478 7.14453 11.3796 6.1175 12.8334 5.06792 6.38157 5.63388 9.35273 11.353 7.46481 11.1534 8.459 10.9581 5.73082 numMergedOcc 0
86 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 8.38865 11.0628 12.9587 5.92529 5.23634 5.0317 5.83175 4.09934 7.3164 numMergedOcc 0
87 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 8.38865 12.9587 11.0628 5.92529 5.23634 5.83175 5.0317 4.09934 7.3164 numMergedOcc 0
88 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 7.5366 5.63086 5.6819 16.5499 7.81215 12.4252 5.75498 11.8229 11.0592 numMergedOcc 0
89 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 7.5366 5.6819 5.63086 16.5499 7.81215 5.75498 12.4252 11.8229 11.0592 numMergedOcc 0
90 mol 234 unq 1 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 7.5366 5.63086 5.6819 13.0974 7.81215 12.4252 5.75498 10.5304 11.0592 numMergedOcc 0
91 mol 234 unq 1 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 7.5366 5.6819 5.63086 13.0974 7.81215 5.75498 12.4252 10.5304 11.0592 numMergedOcc 0
92 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 8.50331 7.22918 9.05842 11.6774 9.3206 4.27181 4.89609 13.0765 5.59363 numMergedOcc 0
93 mol 236 unq 0 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 8.50331 9.05842 7.22918 11.6774 9.3206 4.89609 4.27181 13.0765 5.59363 numMergedOcc 0
94 mol 236 unq 1 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 8.50331 7.22918 7.00028 11.6774 9.3206 4.27181 10.5774 13.0765 5.59363 numMergedOcc 0
95 mol 236 unq 1 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 8.50331 7.00028 7.22918 11.6774 9.3206 10.5774 4.27181 13.0765 5.59363 numMergedOcc 0
96 mol 236 unq 1 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 8.50331 9.05842 7.00028 11.6774 9.3206 4.89609 10.5774 13.0765 5.59363 numMergedOcc 0
97 mol 236 unq 1 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 8.50331 7.00028 9.05842 11.6774 9.3206 10.5774 4.89609 13.0765 5.59363 numMergedOcc 0
