REMARK Name = BDB052430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.118 -0.676 -0.233 0.00 0.00 -0.032 A ATOM 2 C LIG 1 1.256 0.011 0.614 0.00 0.00 +0.050 A ATOM 3 C LIG 1 0.124 -0.642 1.079 0.00 0.00 +0.134 A ATOM 4 O LIG 1 -0.712 0.099 1.916 0.00 0.00 -0.479 OA ATOM 5 C LIG 1 -2.036 -0.454 2.257 0.00 0.00 +0.152 C ATOM 6 C LIG 1 -2.079 -1.877 1.945 0.00 0.00 +0.013 C ATOM 7 C LIG 1 -1.312 -2.517 1.294 0.00 0.00 +0.005 C ATOM 8 C LIG 1 -2.276 -0.169 3.781 0.00 0.00 +0.048 C ATOM 9 C LIG 1 -0.122 -2.001 0.706 0.00 0.00 +0.071 A ATOM 10 C LIG 1 0.712 -2.731 -0.164 0.00 0.00 +0.190 A ATOM 11 O LIG 1 0.502 -3.932 -0.542 0.00 0.00 -0.287 OA ATOM 12 C LIG 1 1.841 -2.005 -0.607 0.00 0.00 +0.056 A ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 3.291 -0.030 -0.732 0.00 0.00 +0.025 C BRANCH 13 14 ATOM 14 C LIG 1 4.558 0.658 -1.274 0.00 0.00 +0.005 C BRANCH 14 15 ATOM 15 C LIG 1 5.824 1.342 -1.816 0.00 0.00 +0.000 C BRANCH 15 17 ATOM 16 C LIG 1 8.356 2.729 -2.893 0.00 0.00 +0.000 C ATOM 17 C LIG 1 7.090 2.030 -2.356 0.00 0.00 +0.000 C ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 5 18 ATOM 18 C LIG 1 -3.034 0.300 1.463 0.00 0.00 +0.049 C BRANCH 18 19 ATOM 19 C LIG 1 -4.063 1.077 0.619 0.00 0.00 +0.029 C BRANCH 19 20 ATOM 20 C LIG 1 -5.090 1.855 -0.229 0.00 0.00 -0.034 C ATOM 21 C LIG 1 -5.953 2.510 -0.939 0.00 0.00 -0.048 C ATOM 22 C LIG 1 -5.568 3.859 -1.570 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -7.416 2.043 -1.004 0.00 0.00 +0.026 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 5 18 TORSDOF 7