REMARK Name = BDB006408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.187 0.070 -1.290 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.911 0.679 -0.057 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.579 0.748 0.411 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.022 1.286 1.591 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.387 1.056 1.502 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.630 0.417 0.300 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -2.471 1.409 2.463 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.679 1.965 2.716 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.440 0.212 -0.379 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.178 -0.383 -1.626 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.147 -0.440 -2.068 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.578 -0.118 -0.880 0.00 0.00 -0.305 N ATOM 13 H LIG 1 4.338 -0.272 0.089 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 3.575 -0.025 -1.819 0.00 0.00 +0.245 C ATOM 15 O LIG 1 3.772 -0.044 -3.029 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.978 -0.273 -1.249 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 6.601 -1.327 -0.345 0.00 0.00 -0.027 A ATOM 18 C LIG 1 7.049 -1.036 0.954 0.00 0.00 +0.005 A ATOM 19 C LIG 1 7.588 -2.039 1.763 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.676 -3.347 1.292 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.221 -3.656 0.013 0.00 0.00 +0.000 A ATOM 22 C LIG 1 6.683 -2.655 -0.798 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 6.294 2.036 -2.307 0.00 0.00 +0.006 C ATOM 24 C LIG 1 6.723 1.077 -1.203 0.00 0.00 +0.024 C ENDBRANCH 16 24 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -2.946 -0.033 -0.168 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.816 1.089 -0.706 0.00 0.00 -0.020 A ATOM 27 C LIG 1 -5.206 1.136 -0.434 0.00 0.00 -0.013 A ATOM 28 C LIG 1 -5.973 2.186 -0.976 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.395 3.163 -1.784 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.038 3.104 -2.072 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.258 2.075 -1.545 0.00 0.00 +0.006 A BRANCH 27 32 ATOM 32 C LIG 1 -5.888 0.126 0.388 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -6.204 -1.135 -0.141 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -6.850 -2.100 0.644 0.00 0.00 +0.059 A ATOM 35 C LIG 1 -7.189 -1.804 1.968 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -6.886 -0.551 2.502 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.242 0.406 1.716 0.00 0.00 +0.008 A BRANCH 34 38 ATOM 38 C LIG 1 -7.148 -3.416 0.030 0.00 0.00 +0.337 C ATOM 39 O LIG 1 -6.856 -3.756 -1.101 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 -7.798 -4.247 0.864 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 -7.927 -5.060 0.332 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9