REMARK Name = BDB013908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.384 0.251 0.586 0.00 0.00 +0.153 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.035 -1.069 -0.620 0.00 0.00 +0.160 C ATOM 3 C LIG 1 1.918 -0.159 -0.034 0.00 0.00 +0.240 C ATOM 4 O LIG 1 2.022 1.062 -0.236 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 0.751 -0.693 0.514 0.00 0.00 -0.265 N ATOM 6 C LIG 1 0.603 -1.970 1.174 0.00 0.00 +0.040 A ATOM 7 C LIG 1 1.683 -2.689 1.718 0.00 0.00 -0.026 A ATOM 8 C LIG 1 1.456 -3.892 2.425 0.00 0.00 +0.005 A ATOM 9 C LIG 1 0.175 -4.394 2.607 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -0.902 -3.702 2.079 0.00 0.00 +0.002 A ATOM 11 C LIG 1 3.107 -2.238 1.593 0.00 0.00 +0.039 C ATOM 12 C LIG 1 -0.686 -2.512 1.375 0.00 0.00 +0.024 A ATOM 13 C LIG 1 3.497 -2.297 0.132 0.00 0.00 +0.036 C BRANCH 2 15 ATOM 14 C LIG 1 5.111 0.270 -0.127 0.00 0.00 +0.230 C ATOM 15 N LIG 1 4.139 -0.166 -1.020 0.00 0.00 -0.303 N ATOM 16 H LIG 1 3.785 0.590 -1.602 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 5.291 -0.267 0.962 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 5.910 1.507 -0.639 0.00 0.00 +0.137 C ATOM 19 C LIG 1 6.507 1.275 -2.027 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 8.066 1.083 0.498 0.00 0.00 +0.101 C ATOM 21 N LIG 1 6.916 1.972 0.344 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 7.251 2.897 0.072 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 2 15 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 C LIG 1 -1.514 0.137 -0.448 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.771 0.770 -0.139 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -3.854 0.633 -1.038 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -5.109 1.210 -0.758 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -5.314 1.956 0.404 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -4.259 2.113 1.298 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -3.681 -0.081 -2.223 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -2.451 -0.644 -2.548 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -3.014 1.536 1.026 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -1.364 -0.539 -1.682 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 -6.632 2.564 0.735 0.00 0.00 +0.161 A ATOM 34 N LIG 1 -7.435 2.915 -0.319 0.00 0.00 -0.301 N ATOM 35 H LIG 1 -7.128 2.839 -1.277 0.00 0.00 +0.171 HD ATOM 36 C LIG 1 -8.661 3.494 -0.157 0.00 0.00 +0.316 A ATOM 37 O LIG 1 -9.344 3.846 -1.107 0.00 0.00 -0.262 OA ATOM 38 C LIG 1 -9.108 3.689 1.294 0.00 0.00 +0.329 A ATOM 39 O LIG 1 -10.195 4.169 1.577 0.00 0.00 -0.260 OA ATOM 40 N LIG 1 -8.191 3.295 2.235 0.00 0.00 -0.237 N ATOM 41 H LIG 1 -8.435 3.418 3.212 0.00 0.00 +0.192 HD ATOM 42 N LIG 1 -6.975 2.750 1.971 0.00 0.00 -0.153 NA ENDBRANCH 27 33 BRANCH 32 43 ATOM 43 O LIG 1 -0.129 -1.061 -1.984 0.00 0.00 -0.495 OA ATOM 44 C LIG 1 -0.010 -1.908 -3.118 0.00 0.00 +0.277 C ENDBRANCH 32 43 ENDBRANCH 1 23 TORSDOF 7