REMARK Name = BDB038778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.758 -2.182 0.219 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.222 -1.137 -0.360 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.477 -1.147 0.189 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.702 -1.760 0.968 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.097 -0.380 -1.278 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 2.544 -0.256 -0.268 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 3.868 -0.943 0.114 0.00 0.00 +0.231 C ATOM 8 O LIG 1 3.941 -1.825 0.969 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 4.986 -0.530 -0.549 0.00 0.00 -0.328 N ATOM 10 H LIG 1 5.872 -0.913 -0.245 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 5.006 0.329 -1.087 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 2.425 1.132 0.382 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 3.287 2.183 -0.277 0.00 0.00 -0.045 A ATOM 14 C LIG 1 4.416 2.695 0.377 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.225 3.643 -0.249 0.00 0.00 +0.000 A ATOM 16 C LIG 1 4.911 4.093 -1.531 0.00 0.00 +0.000 A ATOM 17 C LIG 1 3.784 3.599 -2.185 0.00 0.00 +0.000 A ATOM 18 C LIG 1 2.973 2.650 -1.561 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 -2.111 -1.659 0.005 0.00 0.00 -0.302 N ATOM 20 H LIG 1 -2.303 -1.367 -0.946 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 -2.773 -0.983 1.009 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -2.372 -0.961 2.172 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 -4.109 -0.325 0.582 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 N LIG 1 -4.882 0.058 1.791 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 -4.273 0.683 2.331 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 -4.932 -0.770 2.391 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 -3.917 0.854 -0.391 0.00 0.00 +0.082 C BRANCH 27 28 ATOM 28 C LIG 1 -3.242 2.051 0.204 0.00 0.00 +0.040 A ATOM 29 N LIG 1 -3.886 3.159 0.704 0.00 0.00 -0.337 N ATOM 30 C LIG 1 -5.306 3.405 0.746 0.00 0.00 +0.150 C ATOM 31 C LIG 1 -2.930 4.026 1.155 0.00 0.00 +0.199 A ATOM 32 N LIG 1 -1.720 3.555 0.962 0.00 0.00 -0.244 NA ATOM 33 C LIG 1 -1.901 2.336 0.367 0.00 0.00 +0.133 A ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 34 ATOM 34 C LIG 1 -0.605 -3.588 -0.415 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -0.662 -3.557 -1.949 0.00 0.00 +0.010 C BRANCH 34 37 ATOM 36 C LIG 1 0.712 -5.782 -0.251 0.00 0.00 +0.004 C ATOM 37 C LIG 1 0.672 -4.297 0.086 0.00 0.00 +0.002 C ENDBRANCH 34 37 ENDBRANCH 1 34 TORSDOF 12