0 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 10.5071 8.68293 7.28643 9.76946 4.73237 6.89666 6.09937 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.95165 3.77561 4.61088 9.80646 6.84216 9.68636 10.8687 5.8961 10.2486 9.07476 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 8.44515 8.31381 8.39015 12.5689 5.3315 6.88695 7.89667 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.10899 10.8741 9.24927 12.1168 9.99939 19.1023 11.5251 5.66535 13.8432 7.36836 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.00229 10.1484 8.95999 4.82623 8.30217 9.65136 5.81747 10.9658 14.2274 4.90216 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 12.1387 8.04242 5.76272 12.1173 5.8457 11.847 9.86038 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 12.1387 8.04242 8.18948 12.1173 5.8457 9.89682 9.86038 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 12.1387 8.04242 14.113 12.1173 5.8457 11.3695 9.86038 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 5.96967 7.02367 5.37655 9.64281 14.0364 10.783 7.08403 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 7.04864 4.5543 8.75408 4.74539 6.42623 5.6295 8.43293 5.89379 12.2464 9.16089 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 7.04864 6.81949 6.44653 4.74539 6.42623 3.824 8.43293 5.89379 11.2107 9.16089 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 6.80573 4.42563 7.90729 10.8894 4.42285 9.69426 6.80798 numMergedOcc 0
12 mol 122 unq 1 iso 0 dist 9.40018 11.0216 8.37808 12.9961 4.42563 7.90729 11.3932 4.42285 9.69426 6.80798 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 3.54691 7.97548 12.5321 9.0455 5.56946 13.5311 7.84813 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 5.09728 5.36671 12.8624 10.5186 6.32863 12.2455 8.95296 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 5.59806 8.66436 9.87651 5.09728 5.36671 12.8624 9.763 5.48405 15.1956 6.10021 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 4.84709 4.55245 8.82096 6.62122 9.06459 4.15355 8.80167 5.67031 10.961 9.68612 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 9.08651 5.1609 6.91863 10.9808 4.82768 10.8522 4.90656 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 9.55777 15.3892 7.7699 9.08651 5.1609 8.26703 10.9808 4.82768 10.0664 4.90656 numMergedOcc 0
19 mol 222 unq 2 iso 0 dist 9.55777 16.4881 7.21333 9.08651 5.1609 8.89157 10.9808 4.82768 7.85877 4.90656 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 3.76405 8.08965 4.75609 8.92054 5.23741 8.48065 8.1174 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 12.0808 8.08965 4.75609 12.1257 5.23741 8.48065 8.1174 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 10.2284 9.1927 6.0222 18.778 15.4152 14.0212 8.71119 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 9.58753 8.25897 5.97386 5.30455 8.70769 6.42725 6.69951 numMergedOcc 0
