REMARK Name = BDB024149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.470 -1.724 -0.522 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.134 -2.777 0.528 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.380 -2.425 1.658 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.071 -3.373 2.635 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.511 -4.687 2.496 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.260 -5.055 1.381 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.570 -4.108 0.403 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.272 -1.740 -2.407 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.443 -2.122 -3.327 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.929 -2.155 -1.915 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.582 -2.921 -2.645 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -3.324 0.641 -0.852 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -2.154 0.361 -0.155 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -1.136 -0.406 -0.626 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.266 -0.936 -1.852 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.398 -0.709 -2.629 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.432 0.086 -2.125 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 -6.343 2.990 2.317 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -5.705 2.500 1.119 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -6.184 2.863 -0.082 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -5.380 2.237 -0.943 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -4.377 1.472 -0.302 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -4.624 1.668 1.043 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 2.933 -1.489 -0.665 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 3.353 -2.351 -1.015 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.620 -1.042 0.548 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.184 0.331 1.092 0.00 0.00 +0.053 C BRANCH 27 28 ATOM 28 C LIG 1 3.388 1.467 0.119 0.00 0.00 -0.011 A ATOM 29 C LIG 1 4.671 1.961 -0.132 0.00 0.00 +0.128 A ATOM 30 F LIG 1 5.725 1.440 0.513 0.00 0.00 -0.205 F ATOM 31 C LIG 1 4.889 2.995 -1.038 0.00 0.00 +0.057 A ATOM 32 C LIG 1 3.804 3.554 -1.716 0.00 0.00 +0.055 A ATOM 33 C LIG 1 2.512 3.073 -1.477 0.00 0.00 +0.019 A ATOM 34 C LIG 1 2.305 2.034 -0.564 0.00 0.00 +0.008 A BRANCH 32 35 ATOM 35 C LIG 1 4.013 4.619 -2.652 0.00 0.00 +0.099 C ATOM 36 N LIG 1 4.179 5.483 -3.408 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9