REMARK Name = BDB046433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.521 -3.612 -0.127 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.196 -2.997 -1.487 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 -0.200 -2.716 -1.585 0.00 0.00 -0.492 OA BRANCH 3 5 ATOM 4 C LIG 1 -2.049 -1.289 -1.313 0.00 0.00 -0.005 A ATOM 5 C LIG 1 -0.673 -1.513 -1.130 0.00 0.00 +0.124 A ATOM 6 C LIG 1 0.099 -0.529 -0.509 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -0.481 0.667 -0.074 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -1.848 0.907 -0.247 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -2.620 -0.081 -0.873 0.00 0.00 +0.011 A BRANCH 8 10 ATOM 10 C LIG 1 -2.455 2.215 0.234 0.00 0.00 +0.019 C ATOM 11 C LIG 1 -2.866 3.104 -0.955 0.00 0.00 +0.008 C ATOM 12 C LIG 1 -3.763 4.247 -0.497 0.00 0.00 +0.001 C ATOM 13 C LIG 1 -5.066 3.743 0.124 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -4.977 2.320 0.676 0.00 0.00 +0.001 C ATOM 15 C LIG 1 -3.599 2.011 1.254 0.00 0.00 +0.008 C ENDBRANCH 8 10 BRANCH 4 16 ATOM 16 C LIG 1 -2.940 -2.326 -1.963 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 17 C LIG 1 -4.231 -3.061 0.112 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -3.322 -3.483 -1.034 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 4 16 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 3.012 -3.893 0.038 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 3.811 -2.727 -0.173 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 3.847 -1.768 0.799 0.00 0.00 +0.121 A ATOM 22 C LIG 1 4.399 -0.549 0.386 0.00 0.00 +0.057 A ATOM 23 C LIG 1 4.493 0.540 1.264 0.00 0.00 +0.026 A ATOM 24 C LIG 1 4.008 0.394 2.568 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.469 -0.822 2.990 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.395 -1.903 2.110 0.00 0.00 +0.046 A BRANCH 23 27 ATOM 27 C LIG 1 5.053 1.817 0.829 0.00 0.00 +0.200 A ATOM 28 C LIG 1 6.137 2.075 0.099 0.00 0.00 +0.240 A ATOM 29 N LIG 1 6.219 3.405 -0.027 0.00 0.00 -0.259 N ATOM 30 H LIG 1 6.934 3.914 -0.518 0.00 0.00 +0.175 HD ATOM 31 C LIG 1 5.174 3.981 0.649 0.00 0.00 +0.421 A ATOM 32 O LIG 1 4.960 5.180 0.741 0.00 0.00 -0.223 OA ATOM 33 O LIG 1 4.384 2.996 1.231 0.00 0.00 -0.404 OA BRANCH 28 34 ATOM 34 O LIG 1 7.080 1.283 -0.450 0.00 0.00 -0.491 OA ATOM 35 H LIG 1 6.919 0.373 -0.143 0.00 0.00 +0.294 HD ENDBRANCH 28 34 ENDBRANCH 23 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11