REMARK Name = BDB041093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.256 -0.391 0.382 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -3.842 -1.591 0.530 0.00 0.00 -0.225 NA ATOM 3 C LIG 1 -2.973 -2.619 0.492 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -1.609 -2.448 0.320 0.00 0.00 +0.105 A ATOM 5 N LIG 1 -1.045 -3.701 0.297 0.00 0.00 -0.357 N ATOM 6 H LIG 1 -0.062 -3.884 0.144 0.00 0.00 +0.165 HD ATOM 7 C LIG 1 -2.014 -4.656 0.479 0.00 0.00 +0.085 A ATOM 8 C LIG 1 -1.067 -1.177 0.185 0.00 0.00 +0.147 A ATOM 9 C LIG 1 -3.224 -4.007 0.602 0.00 0.00 +0.047 A ATOM 10 N LIG 1 -1.937 -0.146 0.204 0.00 0.00 -0.210 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -4.832 1.195 1.478 0.00 0.00 +0.229 A ATOM 12 C LIG 1 -4.134 0.767 0.358 0.00 0.00 +0.102 A ATOM 13 C LIG 1 -4.331 1.526 -0.796 0.00 0.00 +0.062 A ATOM 14 N LIG 1 -5.146 2.615 -0.799 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -5.764 2.925 0.345 0.00 0.00 +0.225 A ATOM 16 N LIG 1 -5.651 2.268 1.500 0.00 0.00 -0.201 NA BRANCH 13 17 ATOM 17 C LIG 1 -3.644 1.187 -2.109 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -4.055 -0.048 -2.880 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -4.395 1.309 -3.417 0.00 0.00 +0.010 C ENDBRANCH 13 17 BRANCH 11 21 ATOM 20 C LIG 1 -5.474 0.930 3.725 0.00 0.00 +0.279 C ATOM 21 O LIG 1 -4.638 0.498 2.658 0.00 0.00 -0.479 OA ENDBRANCH 11 21 ENDBRANCH 1 12 BRANCH 8 22 ATOM 22 N LIG 1 0.298 -0.971 0.020 0.00 0.00 -0.323 N ATOM 23 H LIG 1 0.860 -1.649 0.519 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 0.747 0.400 0.211 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 C LIG 1 2.256 0.431 0.135 0.00 0.00 -0.030 A ATOM 26 C LIG 1 3.030 0.620 1.286 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.428 0.627 1.210 0.00 0.00 +0.010 A ATOM 28 C LIG 1 5.098 0.443 -0.013 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.305 0.239 -1.157 0.00 0.00 +0.010 A ATOM 30 C LIG 1 2.908 0.234 -1.087 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 6.573 0.449 -0.112 0.00 0.00 +0.071 A ATOM 32 N LIG 1 7.105 -0.369 -1.058 0.00 0.00 -0.255 NA ATOM 33 C LIG 1 8.450 -0.401 -1.186 0.00 0.00 +0.111 A ATOM 34 C LIG 1 9.315 0.353 -0.415 0.00 0.00 +0.020 A ATOM 35 C LIG 1 8.769 1.193 0.544 0.00 0.00 +0.004 A ATOM 36 C LIG 1 7.384 1.245 0.699 0.00 0.00 +0.028 A ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 7