0 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 11.9621 12.2041 7.88043 7.64246 11.2662 7.25346 5.99972 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 13.8619 12.4076 6.82379 7.97177 8.53529 5.65816 7.03958 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 11.9439 10.6808 6.90155 15.3249 16.0183 11.0508 6.16347 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.23095 6.06832 5.81959 11.9439 10.6808 6.90155 12.1434 8.6653 6.61233 7.92503 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.51406 6.81213 5.69955 14.9006 9.78225 8.6385 11.7245 10.177 5.30297 7.36856 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.16299 11.9686 8.85586 10.8051 8.07446 5.16364 10.8465 12.4089 9.03289 6.02816 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.27015 16.4476 8.85586 13.7608 8.07446 5.16364 17.379 12.4089 9.03289 6.02816 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.00285 10.8678 5.88354 11.8527 7.72877 5.74854 4.81103 5.59328 8.53212 7.5242 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.02354 13.5865 5.88354 13.7128 7.72877 5.74854 7.22196 5.59328 8.53212 7.5242 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 9.00692 9.70366 8.8368 15.3566 13.5683 5.88354 16.908 17.0991 8.53212 5.59328 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 9.00692 9.70366 8.8368 13.036 11.569 5.74854 16.908 17.0991 8.53212 7.5242 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 6.26542 7.63357 8.8368 13.5014 13.5683 5.88354 15.3772 17.0991 8.53212 5.59328 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 6.26542 7.63357 8.8368 10.465 11.569 5.74854 15.3772 17.0991 8.53212 7.5242 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 9.45397 9.01694 7.55384 8.84523 4.98336 5.34214 10.8869 12.2341 10.8469 7.80523 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 11.5266 4.85907 7.99857 9.25614 6.52773 6.96805 9.11344 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 9.47675 6.21253 7.86572 9.00056 11.0743 5.38571 9.97343 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 12.2067 7.31409 7.71426 8.99392 8.24693 6.29877 5.93786 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 12.2067 7.31409 7.71426 5.68701 6.71356 5.90358 8.1344 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 15.8199 10.7531 6.60567 11.3703 9.26504 6.0634 7.36683 numMergedOcc 0
19 mol 195 unq 1 iso 0 dist 8.3705 9.80071 7.62942 15.8199 10.7531 6.60567 15.8827 14.0524 6.74112 6.95086 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 12.6253 10.0191 7.32982 5.11183 7.57812 4.77308 9.24557 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 8.96639 6.85179 6.4398 5.67917 5.40359 6.66971 5.11183 10.1217 4.77308 7.57812 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 8.96639 6.85179 6.4398 5.67917 5.40359 6.66971 6.32646 13.492 10.2777 8.69104 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 8.96639 6.85179 6.4398 12.6253 10.1648 7.32982 5.11183 10.1217 4.77308 9.24557 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.21585 12.2193 7.99477 10.7821 7.26417 6.70815 9.76914 11.2102 8.10604 7.21311 numMergedOcc 0
