REMARK Name = BDB043737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.462 1.325 -0.055 0.00 0.00 +0.153 A ATOM 2 C LIG 1 1.244 0.050 0.434 0.00 0.00 +0.086 A ATOM 3 N LIG 1 -0.083 -0.232 0.101 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -0.602 0.903 -0.519 0.00 0.00 +0.119 A ATOM 5 N LIG 1 0.331 1.830 -0.640 0.00 0.00 -0.226 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.170 -0.891 1.065 0.00 0.00 +0.003 A ATOM 7 C LIG 1 2.614 -2.024 0.368 0.00 0.00 +0.033 A ATOM 8 C LIG 1 3.488 -2.922 0.982 0.00 0.00 +0.077 A ATOM 9 CL LIG 1 4.006 -4.318 0.115 0.00 0.00 -0.081 Cl ATOM 10 C LIG 1 3.927 -2.690 2.283 0.00 0.00 +0.142 A ATOM 11 F LIG 1 4.763 -3.546 2.888 0.00 0.00 -0.204 F ATOM 12 C LIG 1 3.501 -1.564 2.981 0.00 0.00 +0.040 A ATOM 13 C LIG 1 2.624 -0.664 2.372 0.00 0.00 +0.013 A ENDBRANCH 2 6 BRANCH 3 14 ATOM 14 C LIG 1 -0.732 -1.463 0.343 0.00 0.00 +0.085 A ATOM 15 C LIG 1 -0.853 -1.933 1.653 0.00 0.00 +0.165 A ATOM 16 F LIG 1 -0.440 -1.177 2.681 0.00 0.00 -0.202 F ATOM 17 C LIG 1 -1.456 -3.165 1.895 0.00 0.00 +0.078 A ATOM 18 CL LIG 1 -1.628 -3.755 3.503 0.00 0.00 -0.081 Cl ATOM 19 C LIG 1 -1.935 -3.931 0.831 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -1.809 -3.462 -0.479 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -1.206 -2.228 -0.729 0.00 0.00 +0.029 A ENDBRANCH 3 14 BRANCH 1 25 ATOM 22 C LIG 1 4.781 4.978 -0.659 0.00 0.00 +0.111 C ATOM 23 C LIG 1 4.264 3.666 -0.237 0.00 0.00 +0.215 A ATOM 24 O LIG 1 2.955 3.394 -0.516 0.00 0.00 -0.419 OA ATOM 25 C LIG 1 2.808 2.127 0.001 0.00 0.00 +0.269 A ATOM 26 N LIG 1 3.933 1.685 0.537 0.00 0.00 -0.106 NA ATOM 27 N LIG 1 4.874 2.682 0.384 0.00 0.00 -0.112 NA ENDBRANCH 1 25 BRANCH 4 28 ATOM 28 C LIG 1 -2.033 1.169 -0.925 0.00 0.00 +0.056 C ATOM 29 C LIG 1 -3.102 0.687 0.059 0.00 0.00 +0.011 C ATOM 30 C LIG 1 -4.490 1.210 -0.324 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.732 1.259 -1.835 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -3.779 0.357 -2.610 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -2.320 0.752 -2.377 0.00 0.00 +0.011 C ENDBRANCH 4 28 TORSDOF 4