REMARK Name = BDB038448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.159 2.347 0.646 0.00 0.00 +0.029 A ATOM 2 C LIG 1 -1.014 1.573 0.634 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.095 0.341 -0.028 0.00 0.00 +0.039 A ATOM 4 C LIG 1 0.045 -0.105 -0.714 0.00 0.00 +0.032 A ATOM 5 C LIG 1 1.230 0.652 -0.755 0.00 0.00 -0.014 A ATOM 6 C LIG 1 1.250 1.891 -0.096 0.00 0.00 +0.031 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.284 -0.443 -0.015 0.00 0.00 -0.263 N ATOM 8 C LIG 1 -3.458 -0.165 0.695 0.00 0.00 +0.251 C ATOM 9 O LIG 1 -3.737 0.734 1.466 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -4.418 -1.227 0.368 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.717 -1.387 0.813 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -6.426 -2.495 0.347 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.826 -3.407 -0.542 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.502 -3.231 -0.985 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -3.812 -2.118 -0.510 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -2.415 -1.668 -0.793 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 -3.848 -4.199 -1.934 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -4.638 -5.250 -2.283 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -3.474 -3.603 -3.099 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -2.710 -4.737 -1.414 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 2.425 0.152 -1.471 0.00 0.00 -0.007 A ATOM 22 C LIG 1 3.698 0.025 -0.861 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.796 -0.415 -1.623 0.00 0.00 +0.012 A ATOM 24 C LIG 1 4.648 -0.757 -2.966 0.00 0.00 +0.001 A ATOM 25 C LIG 1 3.401 -0.651 -3.570 0.00 0.00 +0.001 A ATOM 26 C LIG 1 2.306 -0.197 -2.833 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 C LIG 1 3.951 0.359 0.542 0.00 0.00 +0.164 A ATOM 28 N LIG 1 3.414 -0.263 1.643 0.00 0.00 -0.317 N ATOM 29 C LIG 1 2.542 -1.404 1.692 0.00 0.00 +0.152 C ATOM 30 C LIG 1 3.906 0.392 2.731 0.00 0.00 +0.225 A ATOM 31 N LIG 1 4.721 1.341 2.342 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 4.764 1.310 0.969 0.00 0.00 -0.129 NA ENDBRANCH 22 27 ENDBRANCH 5 21 BRANCH 1 33 ATOM 33 N LIG 1 0.136 3.592 1.292 0.00 0.00 -0.344 N ATOM 34 H LIG 1 -0.567 3.612 2.029 0.00 0.00 +0.146 HD BRANCH 33 36 ATOM 35 C LIG 1 1.127 5.449 2.518 0.00 0.00 +0.024 C ATOM 36 C LIG 1 1.402 4.196 1.701 0.00 0.00 +0.098 C ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 6