REMARK Name = BDB051903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.124 -0.145 0.339 0.00 0.00 +0.250 C ATOM 2 N LIG 1 -1.415 -0.433 -0.074 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -1.537 -1.249 -0.655 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.183 0.808 1.046 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 4.528 0.095 0.176 0.00 0.00 +0.121 A ATOM 6 C LIG 1 3.139 0.179 0.292 0.00 0.00 +0.056 A ATOM 7 C LIG 1 2.314 -0.897 -0.124 0.00 0.00 +0.016 A ATOM 8 C LIG 1 0.895 -1.095 -0.136 0.00 0.00 +0.063 A ATOM 9 C LIG 1 0.693 -2.361 -0.660 0.00 0.00 +0.108 A ATOM 10 N LIG 1 1.909 -2.953 -0.983 0.00 0.00 -0.287 N ATOM 11 C LIG 1 2.093 -4.242 -1.541 0.00 0.00 +0.229 C ATOM 12 O LIG 1 3.215 -4.665 -1.789 0.00 0.00 -0.273 OA ATOM 13 C LIG 1 0.838 -5.023 -1.796 0.00 0.00 +0.113 C ATOM 14 C LIG 1 2.918 -2.044 -0.654 0.00 0.00 +0.057 A ATOM 15 C LIG 1 4.317 -2.134 -0.774 0.00 0.00 +0.030 A ATOM 16 C LIG 1 5.101 -1.055 -0.354 0.00 0.00 +0.048 A BRANCH 5 17 ATOM 17 O LIG 1 5.424 1.062 0.543 0.00 0.00 -0.492 OA BRANCH 17 18 ATOM 18 C LIG 1 4.892 2.270 1.088 0.00 0.00 +0.229 C BRANCH 18 20 ATOM 19 C LIG 1 6.832 3.633 0.193 0.00 0.00 +0.007 C ATOM 20 C LIG 1 6.049 3.208 1.427 0.00 0.00 +0.038 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 5 17 ENDBRANCH 1 8 BRANCH 2 21 ATOM 21 C LIG 1 -2.594 0.287 0.218 0.00 0.00 +0.035 A ATOM 22 C LIG 1 -3.803 -0.259 -0.240 0.00 0.00 +0.035 A ATOM 23 C LIG 1 -5.037 0.373 -0.004 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -5.039 1.572 0.715 0.00 0.00 +0.026 A ATOM 25 C LIG 1 -3.840 2.123 1.185 0.00 0.00 +0.061 A ATOM 26 C LIG 1 -2.619 1.493 0.918 0.00 0.00 +0.038 A BRANCH 23 27 ATOM 27 C LIG 1 -6.287 -0.203 -0.493 0.00 0.00 +0.135 A ATOM 28 O LIG 1 -6.196 -1.424 -1.106 0.00 0.00 -0.463 OA ATOM 29 C LIG 1 -7.449 -1.785 -1.484 0.00 0.00 +0.196 A ATOM 30 C LIG 1 -8.355 -0.818 -1.125 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -7.609 0.203 -0.486 0.00 0.00 +0.050 A ENDBRANCH 23 27 BRANCH 25 32 ATOM 32 C LIG 1 -3.910 3.404 1.929 0.00 0.00 +0.337 C ATOM 33 O LIG 1 -4.752 4.253 1.692 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.001 3.517 2.918 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 -2.462 2.722 3.094 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 2 21 TORSDOF 8