REMARK Name = BDB024065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.310 -1.082 -1.172 0.00 0.00 +0.012 C ATOM 2 C LIG 1 -0.926 -0.913 -2.351 0.00 0.00 +0.052 C ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 4.200 -2.471 0.385 0.00 0.00 +0.047 C ATOM 4 C LIG 1 3.314 -1.395 -0.173 0.00 0.00 -0.008 A ATOM 5 C LIG 1 3.781 -0.097 -0.439 0.00 0.00 +0.128 A ATOM 6 C LIG 1 2.948 0.843 -1.068 0.00 0.00 -0.008 A ATOM 7 C LIG 1 3.425 2.209 -1.467 0.00 0.00 +0.047 C ATOM 8 C LIG 1 1.604 0.513 -1.300 0.00 0.00 +0.015 A ATOM 9 C LIG 1 1.104 -0.750 -0.972 0.00 0.00 -0.024 A ATOM 10 C LIG 1 1.963 -1.696 -0.410 0.00 0.00 +0.015 A BRANCH 5 11 ATOM 11 O LIG 1 5.084 0.227 -0.162 0.00 0.00 -0.475 OA BRANCH 11 12 ATOM 12 C LIG 1 5.311 0.791 1.143 0.00 0.00 +0.200 C ATOM 13 C LIG 1 6.391 -0.077 1.819 0.00 0.00 +0.067 C ATOM 14 C LIG 1 5.954 2.176 0.929 0.00 0.00 +0.067 C BRANCH 12 15 ATOM 15 C LIG 1 4.112 0.991 2.110 0.00 0.00 +0.348 C ATOM 16 O LIG 1 3.385 1.974 2.174 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 3.876 -0.055 2.933 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 3.073 0.225 3.423 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 C LIG 1 -2.365 -1.200 -2.600 0.00 0.00 +0.189 C ATOM 20 O LIG 1 -2.751 -1.423 -3.744 0.00 0.00 -0.287 OA BRANCH 19 21 ATOM 21 C LIG 1 -3.333 -1.246 -1.487 0.00 0.00 +0.062 A ATOM 22 C LIG 1 -3.470 -0.216 -0.547 0.00 0.00 +0.133 A ATOM 23 N LIG 1 -4.323 -0.347 0.499 0.00 0.00 -0.231 NA ATOM 24 C LIG 1 -5.092 -1.447 0.604 0.00 0.00 +0.073 A ATOM 25 C LIG 1 -5.048 -2.492 -0.338 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.883 -3.613 -0.198 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -6.759 -3.707 0.881 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.803 -2.682 1.820 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -5.971 -1.568 1.673 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -4.148 -2.376 -1.398 0.00 0.00 +0.025 A BRANCH 22 31 ATOM 31 N LIG 1 -2.743 0.985 -0.668 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -3.312 1.861 -1.721 0.00 0.00 +0.134 C ATOM 33 C LIG 1 -2.416 3.100 -1.882 0.00 0.00 +0.178 C ATOM 34 O LIG 1 -2.270 3.815 -0.644 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 -1.715 2.957 0.369 0.00 0.00 +0.178 C ATOM 36 C LIG 1 -2.604 1.726 0.605 0.00 0.00 +0.134 C ENDBRANCH 22 31 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 8