REMARK Name = LIG000082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.275 0.738 -0.968 0.00 0.00 +0.033 A ATOM 2 C LIG 1 1.674 0.677 -0.911 0.00 0.00 +0.035 A ATOM 3 C LIG 1 2.386 -0.516 -1.155 0.00 0.00 +0.025 A ATOM 4 C LIG 1 3.860 -0.549 -1.064 0.00 0.00 +0.085 A ATOM 5 N LIG 1 4.512 0.648 -0.737 0.00 0.00 -0.332 N ATOM 6 H LIG 1 5.166 0.860 -1.499 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 5.299 0.694 0.520 0.00 0.00 +0.146 C ATOM 8 C LIG 1 6.614 -0.120 0.451 0.00 0.00 +0.300 C ATOM 9 F LIG 1 7.243 -0.069 1.659 0.00 0.00 -0.200 F ATOM 10 F LIG 1 7.467 0.455 -0.445 0.00 0.00 -0.200 F ATOM 11 C LIG 1 6.409 -1.587 0.077 0.00 0.00 +0.306 C ATOM 12 O LIG 1 5.898 -1.774 -1.250 0.00 0.00 -0.479 OA ATOM 13 C LIG 1 4.510 -1.704 -1.296 0.00 0.00 +0.207 A ATOM 14 C LIG 1 3.776 -2.959 -1.659 0.00 0.00 +0.295 A ATOM 15 N LIG 1 2.391 -2.889 -1.746 0.00 0.00 -0.308 N ATOM 16 C LIG 1 1.664 -4.099 -2.101 0.00 0.00 +0.152 C ATOM 17 O LIG 1 4.416 -3.996 -1.840 0.00 0.00 -0.264 OA ATOM 18 C LIG 1 1.679 -1.679 -1.494 0.00 0.00 +0.054 A ATOM 19 C LIG 1 0.281 -1.616 -1.582 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.406 -0.422 -1.329 0.00 0.00 +0.025 A ENDROOT BRANCH 7 21 ATOM 21 C LIG 1 5.569 2.155 0.807 0.00 0.00 +0.015 C ATOM 22 C LIG 1 5.637 2.667 2.226 0.00 0.00 +0.006 C ATOM 23 C LIG 1 4.472 3.041 1.352 0.00 0.00 +0.006 C ENDBRANCH 7 21 BRANCH 1 24 ATOM 24 N LIG 1 -0.366 1.972 -0.748 0.00 0.00 -0.298 N ATOM 25 H LIG 1 0.267 2.693 -0.414 0.00 0.00 +0.154 HD BRANCH 24 28 ATOM 26 C LIG 1 -3.755 1.500 0.480 0.00 0.00 +0.220 A ATOM 27 N LIG 1 -2.497 1.235 0.083 0.00 0.00 -0.198 NA ATOM 28 C LIG 1 -1.688 2.244 -0.306 0.00 0.00 +0.147 A ATOM 29 C LIG 1 -2.141 3.555 -0.316 0.00 0.00 +0.099 A ATOM 30 CL LIG 1 -1.166 4.891 -0.785 0.00 0.00 -0.078 Cl ATOM 31 C LIG 1 -3.436 3.747 0.092 0.00 0.00 +0.137 A ATOM 32 N LIG 1 -4.249 2.749 0.488 0.00 0.00 -0.221 NA BRANCH 26 36 ATOM 33 C LIG 1 -8.318 -0.149 1.289 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -6.822 -0.377 1.499 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -6.001 0.717 0.796 0.00 0.00 +0.111 C ATOM 36 N LIG 1 -4.565 0.449 0.929 0.00 0.00 -0.299 N ATOM 37 C LIG 1 -4.107 -0.874 0.499 0.00 0.00 +0.108 C ATOM 38 C LIG 1 -4.913 -1.970 1.194 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -6.411 -1.767 1.004 0.00 0.00 +0.006 C ENDBRANCH 26 36 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 4