0 mol 8 unq 0 iso 0 dist 4.92734 7.0822 8.33604 9.91124 7.3915 11.705 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 7.40735 7.685 6.06832 5.81959 9.96732 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.51406 9.20028 9.16962 6.81213 5.69955 4.80984 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 9.00543 7.97051 7.00648 12.5123 9.63263 4.96642 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 5.26018 9.26324 7.18176 11.8848 9.66501 8.75928 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 7.1203 6.22409 7.18176 8.65709 9.66501 8.75928 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 7.63663 14.4842 7.92394 6.69775 6.54023 11.6542 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 7.63663 14.7467 9.93423 6.69775 6.54023 11.7156 numMergedOcc 0
8 mol 70 unq 2 iso 0 dist 7.63663 5.93792 9.34122 6.69775 6.54023 4.95817 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.124 10.0721 4.65521 16.0036 8.73253 11.2505 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 5.56964 11.2136 8.97793 8.88275 4.79949 6.81799 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 5.56964 11.2136 8.97793 7.18485 7.27693 6.42322 numMergedOcc 0
12 mol 76 unq 2 iso 0 dist 5.56964 7.5192 8.19682 8.88275 4.79949 8.83525 numMergedOcc 0
13 mol 76 unq 3 iso 0 dist 5.56964 7.5192 8.19682 7.18485 7.27693 5.77727 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 8.92577 7.38658 8.72704 9.57933 9.00544 14.6145 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 8.92577 7.38658 8.72704 7.04774 7.12017 6.00843 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 9.56324 15.7025 8.72704 6.95888 9.00544 14.6145 numMergedOcc 0
17 mol 100 unq 3 iso 0 dist 9.56324 15.7025 8.72704 10.3606 7.12017 6.00843 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 9.01694 5.34214 5.94311 numMergedOcc 0
19 mol 109 unq 1 iso 0 dist 9.45397 5.38332 9.20981 9.01694 7.55384 5.94311 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.88255 10.06 9.63176 6.89245 7.77116 8.96522 numMergedOcc 0
21 mol 124 unq 0 iso 0 dist 6.35314 9.93612 6.83051 4.85358 8.58188 8.52488 numMergedOcc 0
22 mol 124 unq 1 iso 0 dist 6.35314 9.06209 9.28376 4.85358 8.58188 5.93612 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 14.8405 9.29384 6.01893 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 8.99949 9.03202 9.51418 14.8405 9.29384 15.1974 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 5.57904 7.26771 8.6355 5.98568 5.53031 11.9544 numMergedOcc 0
26 mol 140 unq 0 iso 0 dist 7.83582 14.4791 8.19104 11.3235 5.39064 5.39245 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 7.97183 6.69515 8.00633 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 8.3705 12.124 8.36117 9.80071 7.62942 9.08602 numMergedOcc 0
29 mol 195 unq 1 iso 0 dist 8.3705 6.91511 6.77578 9.80071 7.62942 8.18628 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 6.21273 5.33649 6.84247 6.71715 5.45036 5.49803 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 6.21273 5.33649 6.84247 10.938 9.97586 7.44322 numMergedOcc 0
32 mol 220 unq 2 iso 0 dist 6.21273 12.5011 6.99002 6.71715 5.45036 11.2241 numMergedOcc 0
33 mol 220 unq 3 iso 0 dist 6.21273 12.5011 6.99002 10.938 9.97586 9.68359 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 11.2986 8.38865 5.92529 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 7.71761 10.1071 8.83563 8.14937 5.87815 4.3387 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 5.67917 10.761 9.90142 6.85179 6.66971 5.8333 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 8.96639 12.8735 9.68513 6.85179 6.4398 6.48619 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 8.96639 10.761 5.9216 6.85179 6.4398 5.8333 numMergedOcc 0
39 mol 240 unq 0 iso 0 dist 9.68888 13.7594 6.15305 17.2138 9.47583 9.75032 numMergedOcc 0
40 mol 240 unq 1 iso 0 dist 9.68888 5.59975 8.0951 17.2138 9.47583 12.9871 numMergedOcc 0
41 mol 272 unq 0 iso 0 dist 7.31993 13.7563 9.09992 11.4436 9.19033 11.8912 numMergedOcc 0
42 mol 272 unq 1 iso 0 dist 7.31993 5.91451 6.16449 11.4436 9.19033 6.56154 numMergedOcc 0
