REMARK Name = BDB041155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.603 -0.238 0.154 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -3.285 -1.548 0.167 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -2.032 -1.793 -0.268 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -1.169 -0.798 -0.699 0.00 0.00 +0.192 A ATOM 5 O LIG 1 0.017 -1.351 -1.085 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -0.089 -2.693 -0.885 0.00 0.00 +0.198 A ATOM 7 C LIG 1 -1.562 0.537 -0.702 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -1.333 -3.014 -0.391 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -2.821 0.787 -0.267 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.363 -0.041 1.903 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -4.946 0.110 0.589 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -5.906 0.615 -0.289 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.156 0.941 0.138 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.436 0.749 1.431 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.597 0.268 2.350 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.613 0.832 -1.764 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -6.655 0.498 -2.808 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.433 -0.359 -2.680 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -4.957 -0.691 4.129 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -4.435 -0.512 2.817 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 N LIG 1 -0.817 1.645 -1.083 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -1.452 2.431 -1.185 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.168 1.518 -2.143 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.569 1.314 -1.607 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.483 0.530 -2.331 0.00 0.00 +0.009 A ATOM 26 C LIG 1 3.790 0.356 -1.875 0.00 0.00 +0.046 A ATOM 27 C LIG 1 4.191 0.960 -0.687 0.00 0.00 +0.121 A ATOM 28 C LIG 1 3.316 1.775 0.026 0.00 0.00 +0.046 A ATOM 29 C LIG 1 2.009 1.949 -0.433 0.00 0.00 +0.009 A BRANCH 27 30 ATOM 30 O LIG 1 5.483 0.795 -0.271 0.00 0.00 -0.486 OA BRANCH 30 31 ATOM 31 C LIG 1 5.539 -0.164 0.797 0.00 0.00 +0.284 C BRANCH 31 32 ATOM 32 C LIG 1 6.980 -0.409 1.191 0.00 0.00 +0.078 A ATOM 33 N LIG 1 7.381 -1.701 1.323 0.00 0.00 -0.256 NA ATOM 34 C LIG 1 8.661 -1.919 1.698 0.00 0.00 +0.111 A ATOM 35 C LIG 1 9.569 -0.910 1.968 0.00 0.00 +0.020 A ATOM 36 C LIG 1 9.143 0.406 1.844 0.00 0.00 +0.003 A ATOM 37 C LIG 1 7.832 0.664 1.452 0.00 0.00 +0.027 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 9