REMARK Name = BDB039365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.248 -0.689 -2.537 0.00 0.00 +0.133 A ATOM 2 C LIG 1 3.122 -0.278 -1.543 0.00 0.00 +0.083 A ATOM 3 C LIG 1 4.576 -0.480 -1.410 0.00 0.00 +0.251 C ATOM 4 N LIG 1 4.973 0.184 -0.255 0.00 0.00 -0.281 N ATOM 5 C LIG 1 3.854 0.771 0.460 0.00 0.00 +0.145 C ATOM 6 O LIG 1 5.295 -1.137 -2.139 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 2.698 0.451 -0.428 0.00 0.00 -0.014 A ATOM 8 C LIG 1 1.364 0.790 -0.269 0.00 0.00 +0.014 A ATOM 9 C LIG 1 0.442 0.375 -1.244 0.00 0.00 -0.011 A ATOM 10 C LIG 1 0.898 -0.354 -2.371 0.00 0.00 +0.055 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 6.313 0.030 0.305 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.804 1.202 1.171 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.298 2.321 1.182 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 7.904 0.941 1.958 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.214 1.713 2.533 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.355 -0.292 2.352 0.00 0.00 +0.219 C ATOM 17 O LIG 1 9.143 -0.407 3.286 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.854 -1.477 1.564 0.00 0.00 +0.098 C ATOM 19 C LIG 1 6.418 -1.266 1.111 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 9 20 ATOM 20 C LIG 1 -1.000 0.713 -1.125 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -1.774 1.288 -2.194 0.00 0.00 +0.145 A ATOM 22 N LIG 1 -3.117 1.546 -1.949 0.00 0.00 -0.306 N ATOM 23 C LIG 1 -3.634 2.094 -3.095 0.00 0.00 +0.112 A ATOM 24 C LIG 1 -2.589 2.138 -3.986 0.00 0.00 +0.131 A ATOM 25 C LIG 1 -3.754 1.269 -0.747 0.00 0.00 +0.097 A ATOM 26 C LIG 1 -3.060 0.712 0.265 0.00 0.00 -0.016 A ATOM 27 N LIG 1 -1.445 1.634 -3.426 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 -1.637 0.433 0.039 0.00 0.00 +0.018 A BRANCH 26 29 ATOM 29 C LIG 1 -3.631 0.349 1.621 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 N LIG 1 -5.099 0.298 1.684 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 -5.643 -0.927 1.090 0.00 0.00 +0.085 C ATOM 32 C LIG 1 -7.160 -0.789 0.911 0.00 0.00 +0.015 C ATOM 33 C LIG 1 -7.834 -0.026 2.054 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -6.987 -0.076 3.317 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -5.572 0.467 3.070 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 9 20 BRANCH 1 37 ATOM 36 C LIG 1 1.917 -1.599 -4.708 0.00 0.00 +0.277 C ATOM 37 O LIG 1 2.763 -1.392 -3.584 0.00 0.00 -0.494 OA ENDBRANCH 1 37 TORSDOF 5