REMARK Name = BDB009734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.061 0.748 -0.455 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -0.944 -0.143 0.352 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.302 0.487 0.755 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.065 1.911 1.246 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.411 2.791 0.174 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -0.941 4.081 0.893 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.184 2.129 -0.454 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.602 2.862 -1.061 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.196 -1.496 -0.323 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.763 -1.579 -1.605 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -2.004 -2.821 -2.199 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.685 -3.989 -1.514 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -1.981 -5.519 -2.244 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.129 -3.928 -0.239 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.886 -2.688 0.355 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.051 -0.329 1.807 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.262 -0.953 1.458 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.957 -1.721 2.392 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -6.435 -2.480 1.945 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.463 -1.881 3.683 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.263 -1.269 4.043 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -2.561 -0.500 3.112 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.221 0.148 -0.958 0.00 0.00 +0.090 C BRANCH 23 25 ATOM 24 C LIG 1 2.015 1.231 -3.227 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.313 0.091 -2.504 0.00 0.00 +0.020 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.484 0.699 -0.229 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 3.707 -0.081 -0.481 0.00 0.00 -0.293 NA ATOM 28 C LIG 1 3.764 -1.397 0.215 0.00 0.00 +0.085 C ATOM 29 C LIG 1 4.958 -2.173 -0.381 0.00 0.00 +0.179 C ATOM 30 O LIG 1 6.123 -1.494 0.165 0.00 0.00 -0.374 OA ATOM 31 C LIG 1 5.557 -0.425 0.968 0.00 0.00 +0.134 C ATOM 32 C LIG 1 4.334 -1.069 1.581 0.00 0.00 +0.054 C ATOM 33 C LIG 1 4.929 0.615 0.021 0.00 0.00 +0.116 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 34 ATOM 34 C LIG 1 -2.393 3.222 -0.944 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 -2.443 2.350 -2.176 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -3.347 1.557 -2.397 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.411 2.522 -3.025 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -0.685 3.097 -2.692 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9