REMARK Name = BDB011853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.883 -0.005 0.250 0.00 0.00 +0.180 C ATOM 2 C LIG 1 2.210 1.470 0.015 0.00 0.00 +0.108 C ATOM 3 C LIG 1 3.479 1.942 0.742 0.00 0.00 +0.031 C ATOM 4 N LIG 1 1.046 2.322 0.330 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.617 2.496 1.650 0.00 0.00 +0.217 C ATOM 6 O LIG 1 1.252 2.077 2.619 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 -0.676 3.248 1.877 0.00 0.00 +0.109 C ATOM 8 C LIG 1 0.151 2.496 -0.750 0.00 0.00 +0.058 A ATOM 9 C LIG 1 -0.539 1.409 -1.326 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -1.423 1.709 -2.376 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -1.614 3.018 -2.834 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -0.921 4.070 -2.251 0.00 0.00 +0.002 A ATOM 13 N LIG 1 -0.392 0.051 -0.846 0.00 0.00 -0.264 N ATOM 14 C LIG 1 -0.037 3.810 -1.212 0.00 0.00 +0.025 A ATOM 15 C LIG 1 0.887 -0.525 -0.812 0.00 0.00 +0.242 C ATOM 16 O LIG 1 1.156 -1.502 -1.524 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 3.155 -2.027 0.915 0.00 0.00 +0.230 C ATOM 18 N LIG 1 3.071 -0.858 0.185 0.00 0.00 -0.301 N ATOM 19 H LIG 1 3.642 -0.856 -0.656 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 2.356 -2.326 1.798 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 4.302 -2.955 0.451 0.00 0.00 +0.137 C ATOM 22 C LIG 1 4.660 -3.993 1.512 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 6.192 -1.469 0.990 0.00 0.00 +0.101 C ATOM 24 N LIG 1 5.465 -2.179 -0.060 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 6.109 -2.834 -0.504 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 13 26 ATOM 26 C LIG 1 -1.459 -0.931 -1.119 0.00 0.00 +0.150 C BRANCH 26 27 ATOM 27 C LIG 1 -2.810 -0.593 -0.495 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -2.916 -0.273 0.898 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -4.170 0.169 1.375 0.00 0.00 +0.071 A ATOM 30 C LIG 1 -4.308 0.531 2.709 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -3.247 0.451 3.611 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -2.019 -0.018 3.175 0.00 0.00 +0.001 A ATOM 33 N LIG 1 -5.254 0.251 0.598 0.00 0.00 -0.255 NA ATOM 34 C LIG 1 -5.141 -0.156 -0.683 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -1.860 -0.383 1.838 0.00 0.00 +0.010 A ATOM 36 C LIG 1 -3.976 -0.617 -1.297 0.00 0.00 -0.021 A BRANCH 36 37 ATOM 37 C LIG 1 -4.023 -1.087 -2.737 0.00 0.00 +0.021 C ATOM 38 C LIG 1 -3.627 -2.504 -3.089 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -5.065 -2.099 -3.166 0.00 0.00 +0.009 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 13 26 TORSDOF 6