REMARK Name = BDB054996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.100 -0.392 -0.503 0.00 0.00 +0.124 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.584 1.058 -0.654 0.00 0.00 +0.036 C BRANCH 2 3 ATOM 3 C LIG 1 -0.933 1.456 -2.092 0.00 0.00 +0.038 C BRANCH 3 4 ATOM 4 C LIG 1 -1.427 2.881 -2.159 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -0.527 3.935 -2.372 0.00 0.00 +0.052 A ATOM 6 C LIG 1 -0.998 5.240 -2.418 0.00 0.00 +0.158 A ATOM 7 C LIG 1 -2.347 5.515 -2.217 0.00 0.00 +0.158 A ATOM 8 C LIG 1 -3.253 4.485 -2.017 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -2.793 3.166 -1.985 0.00 0.00 +0.007 A BRANCH 7 10 ATOM 10 O LIG 1 -2.793 6.804 -2.181 0.00 0.00 -0.503 OA ATOM 11 H LIG 1 -2.098 7.314 -1.726 0.00 0.00 +0.292 HD ENDBRANCH 7 10 BRANCH 6 12 ATOM 12 O LIG 1 -0.119 6.248 -2.693 0.00 0.00 -0.503 OA ATOM 13 H LIG 1 -0.607 6.878 -3.255 0.00 0.00 +0.292 HD ENDBRANCH 6 12 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 1.173 -0.724 -1.298 0.00 0.00 +0.063 C BRANCH 14 15 ATOM 15 C LIG 1 2.381 0.185 -1.046 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 O LIG 1 3.465 -0.281 -1.851 0.00 0.00 -0.392 OA ATOM 17 H LIG 1 3.178 -0.261 -2.781 0.00 0.00 +0.210 HD ENDBRANCH 15 16 BRANCH 15 18 ATOM 18 C LIG 1 2.834 0.188 0.418 0.00 0.00 +0.036 C BRANCH 18 19 ATOM 19 C LIG 1 4.066 1.075 0.637 0.00 0.00 +0.037 C BRANCH 19 20 ATOM 20 C LIG 1 4.431 1.158 2.099 0.00 0.00 -0.047 A ATOM 21 C LIG 1 5.229 0.165 2.686 0.00 0.00 +0.007 A ATOM 22 C LIG 1 5.551 0.229 4.042 0.00 0.00 +0.045 A ATOM 23 C LIG 1 5.076 1.282 4.814 0.00 0.00 +0.117 A ATOM 24 C LIG 1 4.280 2.274 4.252 0.00 0.00 +0.045 A ATOM 25 C LIG 1 3.956 2.210 2.895 0.00 0.00 +0.007 A BRANCH 23 26 ATOM 26 O LIG 1 5.416 1.305 6.134 0.00 0.00 -0.507 OA ATOM 27 H LIG 1 5.024 2.097 6.538 0.00 0.00 +0.292 HD ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 14 15 ENDBRANCH 1 14 BRANCH 1 28 ATOM 28 O LIG 1 -1.163 -1.239 -0.962 0.00 0.00 -0.345 OA BRANCH 28 33 ATOM 29 C LIG 1 -2.469 -4.489 -0.784 0.00 0.00 +0.178 C ATOM 30 C LIG 1 -3.817 -3.936 -0.276 0.00 0.00 +0.177 C ATOM 31 C LIG 1 -3.644 -2.573 0.421 0.00 0.00 +0.179 C ATOM 32 C LIG 1 -2.200 -2.382 0.910 0.00 0.00 +0.201 C ATOM 33 C LIG 1 -1.225 -2.506 -0.295 0.00 0.00 +0.282 C ATOM 34 O LIG 1 -1.654 -3.440 -1.298 0.00 0.00 -0.341 OA BRANCH 30 35 ATOM 35 O LIG 1 -4.402 -4.874 0.638 0.00 0.00 -0.386 OA ATOM 36 H LIG 1 -4.413 -5.733 0.162 0.00 0.00 +0.210 HD ENDBRANCH 30 35 BRANCH 31 37 ATOM 37 O LIG 1 -4.023 -1.503 -0.459 0.00 0.00 -0.386 OA ATOM 38 H LIG 1 -3.322 -1.410 -1.137 0.00 0.00 +0.210 HD ENDBRANCH 31 37 BRANCH 32 39 ATOM 39 O LIG 1 -1.857 -3.343 1.919 0.00 0.00 -0.384 OA ATOM 40 H LIG 1 -2.647 -3.497 2.470 0.00 0.00 +0.210 HD ENDBRANCH 32 39 BRANCH 29 41 ATOM 41 C LIG 1 -2.697 -5.529 -1.888 0.00 0.00 +0.190 C BRANCH 41 42 ATOM 42 O LIG 1 -3.541 -6.580 -1.421 0.00 0.00 -0.392 OA ATOM 43 H LIG 1 -3.583 -7.239 -2.138 0.00 0.00 +0.210 HD ENDBRANCH 41 42 ENDBRANCH 29 41 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 19