REMARK Name = BDB014289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.638 0.901 -1.383 0.00 0.00 +0.023 A ATOM 2 N LIG 1 1.115 0.307 -0.235 0.00 0.00 -0.356 N ATOM 3 H LIG 1 0.564 0.049 0.576 0.00 0.00 +0.166 HD ATOM 4 C LIG 1 2.464 0.066 -0.341 0.00 0.00 +0.079 A ATOM 5 C LIG 1 2.861 0.530 -1.589 0.00 0.00 +0.090 A ATOM 6 N LIG 1 4.136 0.457 -2.037 0.00 0.00 -0.253 NA ATOM 7 C LIG 1 5.012 -0.107 -1.179 0.00 0.00 +0.112 A ATOM 8 C LIG 1 4.704 -0.598 0.080 0.00 0.00 +0.037 A ATOM 9 C LIG 1 3.386 -0.517 0.532 0.00 0.00 +0.086 A ATOM 10 C LIG 1 1.717 1.052 -2.236 0.00 0.00 +0.051 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 3.040 -1.037 1.867 0.00 0.00 +0.339 C ATOM 12 O LIG 1 3.817 -1.554 2.647 0.00 0.00 -0.245 OA BRANCH 11 13 ATOM 13 O LIG 1 1.736 -0.892 2.172 0.00 0.00 -0.477 OA ATOM 14 H LIG 1 1.669 -1.295 3.065 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 9 11 BRANCH 1 15 ATOM 15 C LIG 1 -0.797 1.285 -1.560 0.00 0.00 +0.088 C BRANCH 15 21 ATOM 16 C LIG 1 -3.349 -0.359 0.773 0.00 0.00 +0.139 A ATOM 17 C LIG 1 -3.521 -1.598 0.134 0.00 0.00 +0.083 A ATOM 18 CL LIG 1 -4.584 -2.804 0.773 0.00 0.00 -0.080 Cl ATOM 19 C LIG 1 -2.832 -1.895 -1.044 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.960 -0.959 -1.598 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.769 0.282 -0.976 0.00 0.00 -0.038 A ATOM 22 C LIG 1 -2.467 0.572 0.211 0.00 0.00 +0.051 A BRANCH 16 24 ATOM 23 C LIG 1 -4.010 1.137 2.516 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -4.058 -0.156 1.928 0.00 0.00 -0.494 OA ENDBRANCH 16 24 ENDBRANCH 15 21 ENDBRANCH 1 15 TORSDOF 5