REMARK Name = BDB012061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.207 -0.329 0.093 0.00 0.00 +0.126 A ATOM 2 N LIG 1 1.964 -0.817 -0.102 0.00 0.00 -0.223 NA ATOM 3 C LIG 1 1.022 0.044 -0.555 0.00 0.00 +0.125 A ATOM 4 C LIG 1 1.266 1.381 -0.876 0.00 0.00 +0.035 A ATOM 5 C LIG 1 2.569 1.845 -0.698 0.00 0.00 +0.016 A ATOM 6 C LIG 1 3.547 0.986 -0.196 0.00 0.00 +0.044 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 0.220 2.285 -1.351 0.00 0.00 +0.084 A ATOM 8 N LIG 1 0.024 2.622 -2.680 0.00 0.00 -0.299 N ATOM 9 C LIG 1 -1.127 3.408 -2.733 0.00 0.00 +0.139 A ATOM 10 C LIG 1 -1.540 3.877 -4.013 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -0.830 3.549 -5.109 0.00 0.00 +0.005 A ATOM 12 C LIG 1 0.360 2.719 -5.022 0.00 0.00 +0.018 A ATOM 13 N LIG 1 -1.658 3.576 -1.542 0.00 0.00 -0.227 NA ATOM 14 C LIG 1 0.760 2.276 -3.819 0.00 0.00 +0.093 A ATOM 15 C LIG 1 -0.817 2.919 -0.675 0.00 0.00 +0.103 A BRANCH 15 16 ATOM 16 C LIG 1 -1.085 2.837 0.747 0.00 0.00 +0.064 A ATOM 17 C LIG 1 -0.174 3.240 1.725 0.00 0.00 +0.224 A ATOM 18 N LIG 1 -0.412 3.136 3.057 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 -1.602 2.618 3.429 0.00 0.00 +0.114 A ATOM 20 C LIG 1 -2.578 2.207 2.538 0.00 0.00 +0.021 A ATOM 21 C LIG 1 -2.316 2.326 1.178 0.00 0.00 +0.017 A BRANCH 17 22 ATOM 22 O LIG 1 1.016 3.814 1.313 0.00 0.00 -0.479 OA ATOM 23 C LIG 1 1.907 4.100 2.385 0.00 0.00 +0.279 C ENDBRANCH 17 22 ENDBRANCH 15 16 ENDBRANCH 4 7 BRANCH 1 25 ATOM 24 C LIG 1 5.371 -1.062 1.101 0.00 0.00 +0.235 C ATOM 25 N LIG 1 4.092 -1.261 0.626 0.00 0.00 -0.269 N ATOM 26 H LIG 1 3.712 -2.197 0.690 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 5.986 0.001 1.087 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 5.962 -2.361 1.711 0.00 0.00 +0.137 C ATOM 29 C LIG 1 7.339 -2.089 2.320 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 6.220 -4.733 1.157 0.00 0.00 +0.101 C ATOM 31 N LIG 1 6.005 -3.387 0.642 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 6.758 -3.144 -0.004 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 3 33 ATOM 33 C LIG 1 -0.286 -0.529 -0.637 0.00 0.00 -0.040 C ATOM 34 C LIG 1 -1.416 -0.939 -0.660 0.00 0.00 -0.059 C BRANCH 34 35 ATOM 35 C LIG 1 -2.782 -1.357 -0.639 0.00 0.00 +0.026 A ATOM 36 C LIG 1 -3.177 -2.414 0.181 0.00 0.00 +0.025 A ATOM 37 C LIG 1 -4.525 -2.808 0.249 0.00 0.00 -0.014 A ATOM 38 C LIG 1 -5.497 -2.129 -0.521 0.00 0.00 +0.003 A ATOM 39 C LIG 1 -6.837 -2.565 -0.396 0.00 0.00 +0.046 A ATOM 40 N LIG 1 -7.215 -3.591 0.411 0.00 0.00 -0.260 NA ATOM 41 C LIG 1 -6.254 -4.211 1.124 0.00 0.00 +0.111 A ATOM 42 C LIG 1 -7.952 -1.923 -1.171 0.00 0.00 +0.066 C ATOM 43 C LIG 1 -5.072 -1.063 -1.349 0.00 0.00 +0.011 A ATOM 44 C LIG 1 -4.918 -3.861 1.079 0.00 0.00 +0.028 A ATOM 45 C LIG 1 -3.729 -0.682 -1.404 0.00 0.00 +0.017 A ENDBRANCH 34 35 ENDBRANCH 3 33 TORSDOF 8