REMARK Name = BDB061243 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.481 -0.378 1.110 0.00 0.00 +0.018 A ATOM 2 C LIG 1 0.429 -1.103 0.524 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -0.835 -1.196 1.135 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -1.029 -0.530 2.355 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -0.001 0.208 2.942 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.246 0.286 2.321 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 7 O LIG 1 5.266 -2.235 -1.146 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 4.733 -1.237 -0.680 0.00 0.00 +0.197 A ATOM 9 C LIG 1 5.323 0.122 -0.698 0.00 0.00 +0.105 A ATOM 10 C LIG 1 4.587 1.158 -0.115 0.00 0.00 +0.146 A ATOM 11 C LIG 1 5.080 2.466 -0.095 0.00 0.00 +0.092 A ATOM 12 C LIG 1 6.319 2.732 -0.663 0.00 0.00 +0.124 A ATOM 13 C LIG 1 7.069 1.717 -1.248 0.00 0.00 +0.091 A ATOM 14 O LIG 1 3.356 0.978 0.468 0.00 0.00 -0.454 OA ATOM 15 C LIG 1 2.804 -0.289 0.464 0.00 0.00 +0.139 A ATOM 16 C LIG 1 6.571 0.411 -1.265 0.00 0.00 +0.135 A ATOM 17 C LIG 1 3.406 -1.369 -0.051 0.00 0.00 +0.098 A BRANCH 12 18 ATOM 18 O LIG 1 6.844 3.990 -0.670 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 6.219 4.598 -0.240 0.00 0.00 +0.292 HD ENDBRANCH 12 18 BRANCH 16 20 ATOM 20 O LIG 1 7.325 -0.568 -1.846 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 8.155 -0.199 -2.186 0.00 0.00 +0.292 HD ENDBRANCH 16 20 ENDBRANCH 1 15 BRANCH 3 22 ATOM 22 C LIG 1 -1.926 -1.968 0.502 0.00 0.00 +0.067 A ATOM 23 C LIG 1 -3.134 -1.347 0.111 0.00 0.00 +0.154 A ATOM 24 C LIG 1 -4.156 -2.087 -0.489 0.00 0.00 +0.106 A ATOM 25 C LIG 1 -5.390 -1.395 -0.878 0.00 0.00 +0.197 A ATOM 26 C LIG 1 -5.476 0.044 -0.607 0.00 0.00 +0.101 A ATOM 27 C LIG 1 -4.431 0.648 -0.030 0.00 0.00 +0.174 A ATOM 28 O LIG 1 -6.317 -1.999 -1.409 0.00 0.00 -0.287 OA ATOM 29 C LIG 1 -3.997 -3.457 -0.712 0.00 0.00 +0.135 A ATOM 30 C LIG 1 -2.819 -4.093 -0.339 0.00 0.00 +0.092 A ATOM 31 O LIG 1 -3.260 0.008 0.330 0.00 0.00 -0.451 OA ATOM 32 C LIG 1 -1.798 -3.353 0.261 0.00 0.00 +0.132 A BRANCH 27 33 ATOM 33 C LIG 1 -4.439 2.044 0.275 0.00 0.00 +0.170 A ATOM 34 O LIG 1 -3.395 2.660 0.939 0.00 0.00 -0.460 OA ATOM 35 C LIG 1 -3.680 3.974 1.085 0.00 0.00 +0.196 A ATOM 36 C LIG 1 -4.900 4.261 0.533 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -5.386 3.035 0.017 0.00 0.00 +0.053 A ENDBRANCH 27 33 BRANCH 29 38 ATOM 38 O LIG 1 -4.957 -4.239 -1.294 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 -5.731 -3.670 -1.511 0.00 0.00 +0.292 HD ENDBRANCH 29 38 BRANCH 32 40 ATOM 40 O LIG 1 -0.645 -3.995 0.630 0.00 0.00 -0.506 OA ATOM 41 H LIG 1 -0.725 -4.944 0.437 0.00 0.00 +0.292 HD ENDBRANCH 32 40 ENDBRANCH 3 22 TORSDOF 7