REMARK Name = BDB048092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.927 -0.228 -0.541 0.00 0.00 +0.174 C ATOM 2 C LIG 1 -1.546 -0.827 -1.805 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -1.844 0.125 0.503 0.00 0.00 -0.485 OA BRANCH 3 7 ATOM 4 C LIG 1 -5.312 -2.031 1.416 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -5.330 -0.637 1.301 0.00 0.00 +0.053 A ATOM 6 C LIG 1 -4.166 0.055 0.951 0.00 0.00 +0.170 A ATOM 7 C LIG 1 -2.959 -0.626 0.735 0.00 0.00 +0.163 A ATOM 8 C LIG 1 -2.938 -2.012 0.874 0.00 0.00 +0.050 A ATOM 9 C LIG 1 -4.108 -2.711 1.194 0.00 0.00 +0.007 A BRANCH 4 11 ATOM 10 C LIG 1 -7.360 -3.161 0.516 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -6.569 -2.787 1.760 0.00 0.00 +0.032 C ENDBRANCH 4 11 BRANCH 6 12 ATOM 12 O LIG 1 -4.247 1.430 0.903 0.00 0.00 -0.452 OA BRANCH 12 13 ATOM 13 C LIG 1 -4.117 2.011 -0.340 0.00 0.00 +0.129 A ATOM 14 C LIG 1 -4.760 1.528 -1.483 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -4.604 2.195 -2.700 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -3.820 3.347 -2.771 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.195 3.839 -1.625 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.350 3.175 -0.408 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 7 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 0.261 -1.046 -0.025 0.00 0.00 +0.085 C BRANCH 19 20 ATOM 20 C LIG 1 0.871 -0.452 1.244 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.023 -1.201 1.635 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.248 -0.820 1.163 0.00 0.00 +0.121 A ATOM 23 C LIG 1 3.498 0.141 0.184 0.00 0.00 +0.049 A ATOM 24 C LIG 1 4.814 0.442 -0.228 0.00 0.00 -0.044 A ATOM 25 C LIG 1 5.009 1.481 -1.299 0.00 0.00 +0.044 C ATOM 26 C LIG 1 5.898 -0.240 0.363 0.00 0.00 -0.044 A ATOM 27 C LIG 1 5.630 -1.215 1.338 0.00 0.00 +0.007 A ATOM 28 C LIG 1 4.322 -1.499 1.731 0.00 0.00 +0.046 A BRANCH 26 29 ATOM 29 C LIG 1 7.342 0.023 -0.012 0.00 0.00 +0.046 C BRANCH 29 30 ATOM 30 C LIG 1 8.150 0.691 1.097 0.00 0.00 +0.125 C BRANCH 30 31 ATOM 31 C LIG 1 7.750 2.120 1.325 0.00 0.00 +0.305 C ATOM 32 O LIG 1 7.302 2.591 2.356 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 7.989 2.910 0.261 0.00 0.00 -0.481 OA ATOM 34 H LIG 1 7.707 3.798 0.568 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13