REMARK Name = BDB009735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.179 -0.551 -0.150 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -1.413 0.230 0.104 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.353 -0.465 1.144 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.512 -1.986 0.967 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.487 -2.657 0.034 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -2.022 -2.609 -1.416 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.143 -1.924 0.087 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.919 -2.526 0.231 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.134 1.656 0.597 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.661 2.757 -0.100 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -1.455 4.060 0.360 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.732 4.276 1.530 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.478 5.880 2.095 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.215 3.200 2.246 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.420 1.897 1.786 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.723 0.204 1.248 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.108 0.824 2.447 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.348 1.457 2.549 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.799 2.217 4.025 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -6.221 1.480 1.464 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.851 0.866 0.269 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.611 0.233 0.160 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 0.971 -0.009 -0.944 0.00 0.00 +0.090 C BRANCH 23 25 ATOM 24 C LIG 1 1.597 0.980 -3.244 0.00 0.00 +0.006 C ATOM 25 C LIG 1 0.514 0.776 -2.195 0.00 0.00 +0.020 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.004 0.742 -0.056 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 3.396 0.717 -0.554 0.00 0.00 -0.294 NA ATOM 28 C LIG 1 4.045 -0.608 -0.346 0.00 0.00 +0.079 C ATOM 29 C LIG 1 4.542 -1.117 -1.703 0.00 0.00 +0.026 C ATOM 30 C LIG 1 5.208 -0.572 0.675 0.00 0.00 +0.178 C ATOM 31 O LIG 1 6.218 0.394 0.364 0.00 0.00 -0.377 OA ATOM 32 C LIG 1 5.687 1.622 -0.147 0.00 0.00 +0.175 C ATOM 33 C LIG 1 4.180 1.793 0.090 0.00 0.00 +0.113 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 34 ATOM 34 C LIG 1 -1.324 -4.132 0.498 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 -0.281 -4.987 -0.181 0.00 0.00 +0.306 C ATOM 36 O LIG 1 0.438 -5.800 0.381 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -0.262 -4.890 -1.519 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 0.467 -5.494 -1.776 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9