REMARK Name = BDB009751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.558 0.862 0.071 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.594 -0.045 0.310 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.433 -0.269 -0.991 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.694 1.003 -1.821 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.924 2.261 -1.377 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -1.696 2.969 -0.242 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.474 1.883 -0.877 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.468 2.513 -1.237 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.231 -1.419 0.883 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.824 -1.854 2.082 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.548 -3.123 2.598 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.316 -3.975 1.916 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.654 -5.537 2.552 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.900 -3.572 0.720 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.620 -2.305 0.201 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.739 -1.024 -0.750 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.930 -2.289 -1.330 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.109 -3.000 -1.105 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -4.320 -4.551 -1.821 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.115 -2.466 -0.306 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.941 -1.210 0.273 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.762 -0.494 0.054 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.727 0.945 0.993 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 2.826 0.048 0.520 0.00 0.00 +0.158 A ATOM 25 O LIG 1 3.228 -0.963 1.339 0.00 0.00 -0.357 OA ATOM 26 N LIG 1 4.259 -1.665 0.741 0.00 0.00 -0.083 NA ATOM 27 C LIG 1 4.478 -1.060 -0.432 0.00 0.00 +0.081 A ATOM 28 C LIG 1 5.537 -1.554 -1.338 0.00 0.00 +0.069 C ATOM 29 C LIG 1 3.601 0.029 -0.618 0.00 0.00 +0.072 A ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 2.439 1.469 3.387 0.00 0.00 +0.006 C ATOM 31 C LIG 1 1.378 0.836 2.490 0.00 0.00 +0.027 C ENDBRANCH 23 31 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 -0.822 3.197 -2.617 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -0.014 4.467 -2.497 0.00 0.00 +0.306 C ATOM 34 O LIG 1 0.718 4.920 -3.364 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -0.241 5.172 -1.377 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 0.360 5.942 -1.474 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8