REMARK Name = BDB008200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.506 -0.207 -0.280 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -3.008 -2.066 0.317 0.00 0.00 -0.303 N ATOM 3 H LIG 1 -3.518 -1.341 0.810 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -2.012 -1.643 -0.540 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -1.587 -2.332 -1.468 0.00 0.00 -0.274 OA BRANCH 2 7 ATOM 6 C LIG 1 -4.266 -3.942 1.269 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -3.784 -3.258 -0.002 0.00 0.00 +0.156 C BRANCH 7 8 ATOM 8 C LIG 1 -4.987 -2.822 -0.858 0.00 0.00 +0.231 C ATOM 9 O LIG 1 -5.388 -1.661 -0.922 0.00 0.00 -0.274 OA ATOM 10 N LIG 1 -5.645 -3.822 -1.517 0.00 0.00 -0.328 N ATOM 11 H LIG 1 -6.375 -3.524 -2.153 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 -5.178 -4.692 -1.736 0.00 0.00 +0.145 HD ENDBRANCH 7 8 ENDBRANCH 2 7 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 N LIG 1 -0.200 -0.085 -0.916 0.00 0.00 -0.302 N ATOM 14 H LIG 1 -0.171 -0.345 -1.896 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 0.956 -0.292 -0.190 0.00 0.00 +0.234 C ATOM 16 O LIG 1 0.964 -0.396 1.037 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 2.232 -0.429 -1.046 0.00 0.00 +0.156 C ATOM 18 C LIG 1 2.299 -1.822 -1.658 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 N LIG 1 3.386 -0.195 -0.188 0.00 0.00 -0.304 N ATOM 20 H LIG 1 3.459 -0.804 0.620 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 3.907 1.072 -0.042 0.00 0.00 +0.218 C ATOM 22 O LIG 1 3.567 2.014 -0.756 0.00 0.00 -0.275 OA BRANCH 21 23 ATOM 23 C LIG 1 4.891 1.264 1.104 0.00 0.00 +0.130 C BRANCH 23 24 ATOM 24 C LIG 1 5.703 0.046 1.478 0.00 0.00 -0.039 A ATOM 25 C LIG 1 5.436 -0.654 2.663 0.00 0.00 +0.004 A ATOM 26 C LIG 1 6.175 -1.790 2.994 0.00 0.00 +0.000 A ATOM 27 C LIG 1 7.186 -2.237 2.145 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.460 -1.548 0.965 0.00 0.00 +0.000 A ATOM 29 C LIG 1 6.723 -0.412 0.632 0.00 0.00 +0.004 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 1 13 BRANCH 1 30 ATOM 30 C LIG 1 -2.502 0.805 -0.858 0.00 0.00 +0.033 C BRANCH 30 31 ATOM 31 C LIG 1 -2.098 2.251 -0.556 0.00 0.00 +0.023 C BRANCH 31 32 ATOM 32 C LIG 1 -3.147 3.239 -1.068 0.00 0.00 +0.115 C BRANCH 32 33 ATOM 33 N LIG 1 -2.713 4.602 -0.800 0.00 0.00 -0.356 N ATOM 34 H LIG 1 -2.180 4.690 0.057 0.00 0.00 +0.162 HD BRANCH 33 35 ATOM 35 C LIG 1 -3.454 5.692 -1.096 0.00 0.00 +0.188 C ATOM 36 N LIG 1 -3.368 6.811 -0.473 0.00 0.00 -0.269 NA ATOM 37 H LIG 1 -2.663 6.740 0.262 0.00 0.00 +0.190 HD BRANCH 35 38 ATOM 38 N LIG 1 -4.315 5.579 -2.122 0.00 0.00 -0.370 N ATOM 39 H LIG 1 -3.882 5.183 -2.945 0.00 0.00 +0.159 HD ATOM 40 H LIG 1 -4.698 6.495 -2.333 0.00 0.00 +0.159 HD ENDBRANCH 35 38 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 14