REMARK Name = BDB009768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.490 0.564 0.216 0.00 0.00 -0.285 N ATOM 2 C LIG 1 -0.149 -0.317 -0.793 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.704 -0.369 -0.711 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.281 1.045 -0.579 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.614 1.917 0.499 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -2.000 1.493 1.927 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.081 1.835 0.395 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.603 2.848 0.548 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 0.298 -0.044 -2.239 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.471 -1.144 -3.103 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.865 -0.964 -4.431 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.089 0.320 -4.915 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 1.576 0.546 -6.549 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.919 1.423 -4.083 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.523 1.242 -2.754 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.314 -1.352 0.291 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -1.607 -1.907 1.366 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -2.218 -2.814 2.236 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -1.315 -3.469 3.546 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -3.545 -3.188 2.052 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.266 -2.650 0.991 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.656 -1.743 0.119 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.988 0.485 0.393 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 C LIG 1 2.652 -0.825 -0.055 0.00 0.00 +0.062 A ATOM 25 N LIG 1 3.517 -0.726 -1.098 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 4.125 -1.850 -1.536 0.00 0.00 +0.111 A ATOM 27 C LIG 1 3.919 -3.098 -0.980 0.00 0.00 +0.020 A ATOM 28 C LIG 1 3.039 -3.198 0.088 0.00 0.00 +0.003 A ATOM 29 C LIG 1 2.398 -2.053 0.558 0.00 0.00 +0.025 A ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 1.901 0.110 2.989 0.00 0.00 +0.009 C ATOM 31 C LIG 1 2.470 0.927 1.826 0.00 0.00 +0.009 C ATOM 32 C LIG 1 4.000 0.994 1.930 0.00 0.00 +0.009 C ENDBRANCH 23 31 ENDBRANCH 1 23 BRANCH 5 33 ATOM 33 C LIG 1 -2.023 3.400 0.290 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 -3.505 3.641 0.347 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -4.295 3.487 -0.569 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.928 4.035 1.562 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -4.894 4.160 1.455 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8