REMARK Name = BDB005351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.024 0.297 -1.070 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.235 -0.215 -0.027 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.014 0.367 -0.177 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.302 0.450 0.492 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -1.973 1.441 -0.401 0.00 0.00 -0.248 N ATOM 6 C LIG 1 -1.135 1.903 -1.452 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.337 2.793 -2.261 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.098 1.175 -1.269 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.318 1.115 -1.846 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.280 1.872 -0.227 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.163 2.076 -1.452 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.835 1.629 -2.549 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.395 2.698 -1.221 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.260 2.963 -2.359 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -5.891 2.894 0.056 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.174 2.563 1.135 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -5.800 2.776 2.723 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -3.834 2.053 0.986 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 22 ATOM 19 C LIG 1 6.002 -0.630 -1.897 0.00 0.00 +0.321 A ATOM 20 N LIG 1 5.760 -0.033 -0.720 0.00 0.00 -0.159 NA ATOM 21 C LIG 1 4.471 0.276 -0.470 0.00 0.00 +0.231 A ATOM 22 C LIG 1 3.422 -0.022 -1.324 0.00 0.00 +0.097 A ATOM 23 C LIG 1 3.805 -0.612 -2.510 0.00 0.00 +0.133 A ATOM 24 N LIG 1 5.078 -0.943 -2.813 0.00 0.00 -0.202 NA BRANCH 19 26 ATOM 25 C LIG 1 8.258 -0.540 -1.299 0.00 0.00 +0.280 C ATOM 26 O LIG 1 7.288 -0.992 -2.233 0.00 0.00 -0.466 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 4.162 0.899 0.728 0.00 0.00 -0.479 OA ATOM 28 C LIG 1 5.308 1.355 1.441 0.00 0.00 +0.279 C ENDBRANCH 21 27 ENDBRANCH 1 22 BRANCH 4 29 ATOM 29 C LIG 1 -2.068 -0.860 0.551 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -2.501 -1.365 1.788 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.224 -2.559 1.857 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.534 -3.264 0.690 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.118 -2.768 -0.547 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.393 -1.575 -0.616 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -4.277 -4.488 0.765 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.875 -5.480 0.836 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 1.661 -1.187 0.976 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.370 -0.734 2.406 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.116 -2.586 0.694 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 7