REMARK Name = BDB035162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.871 0.929 0.752 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -2.761 0.281 0.375 0.00 0.00 -0.144 NA ATOM 3 N LIG 1 -1.778 1.189 0.605 0.00 0.00 -0.216 N ATOM 4 C LIG 1 -2.356 2.339 1.149 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -1.501 3.422 1.481 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -0.178 3.312 1.263 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.401 2.106 0.694 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.393 1.060 0.370 0.00 0.00 +0.049 A ATOM 9 N LIG 1 -3.655 2.188 1.256 0.00 0.00 -0.207 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.764 -0.083 -0.492 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.194 0.349 0.696 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.974 0.200 1.842 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.223 -0.336 1.774 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.667 -0.718 0.571 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.998 -0.621 -0.581 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.486 0.620 3.219 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.820 -0.214 4.436 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -4.415 -0.187 3.918 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -5.676 -0.453 -2.814 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.041 0.085 -1.660 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 0.060 -0.252 -0.228 0.00 0.00 +0.090 C BRANCH 21 22 ATOM 22 C LIG 1 1.549 -0.402 -0.454 0.00 0.00 -0.042 A ATOM 23 C LIG 1 2.374 -0.917 0.555 0.00 0.00 +0.005 A ATOM 24 C LIG 1 3.754 -1.026 0.358 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.332 -0.628 -0.854 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.510 -0.092 -1.852 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.131 0.015 -1.659 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 5.775 -0.721 -1.086 0.00 0.00 +0.141 A ATOM 29 N LIG 1 6.545 -1.852 -0.919 0.00 0.00 -0.333 N ATOM 30 C LIG 1 6.085 -3.171 -0.556 0.00 0.00 +0.150 C ATOM 31 C LIG 1 7.841 -1.537 -1.227 0.00 0.00 +0.119 A ATOM 32 C LIG 1 7.827 -0.209 -1.613 0.00 0.00 +0.162 A ATOM 33 N LIG 1 6.527 0.269 -1.535 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 8.973 0.644 -2.075 0.00 0.00 +0.436 C ATOM 35 F LIG 1 10.175 0.114 -1.712 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.003 0.770 -3.428 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.937 1.901 -1.558 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7