REMARK Name = BDB009753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.981 0.085 -0.318 0.00 0.00 -0.285 N ATOM 2 C LIG 1 -0.336 -0.477 0.078 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.486 0.553 0.230 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -0.957 1.842 0.858 0.00 0.00 +0.026 C ATOM 5 C LIG 1 0.177 2.446 0.020 0.00 0.00 +0.055 C ATOM 6 C LIG 1 0.700 3.697 0.760 0.00 0.00 +0.021 C ATOM 7 C LIG 1 1.316 1.423 -0.088 0.00 0.00 +0.223 C ATOM 8 O LIG 1 2.483 1.819 -0.088 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.786 -1.583 -0.885 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.153 -2.843 -0.384 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -1.588 -3.852 -1.247 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.659 -3.608 -2.616 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -2.194 -4.850 -3.679 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.300 -2.365 -3.131 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.867 -1.356 -2.269 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.671 0.011 1.025 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.909 -0.172 0.386 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.002 -0.675 1.093 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -6.509 -0.891 0.292 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.883 -1.003 2.441 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.660 -0.830 3.087 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -2.561 -0.328 2.384 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 2.112 -0.890 -0.356 0.00 0.00 +0.125 C BRANCH 23 24 ATOM 24 C LIG 1 2.975 -0.861 0.910 0.00 0.00 +0.062 A ATOM 25 N LIG 1 2.324 -1.166 2.072 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 3.042 -1.165 3.216 0.00 0.00 +0.111 A ATOM 27 C LIG 1 4.393 -0.881 3.277 0.00 0.00 +0.020 A ATOM 28 C LIG 1 5.049 -0.578 2.092 0.00 0.00 +0.003 A ATOM 29 C LIG 1 4.337 -0.569 0.895 0.00 0.00 +0.025 A ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 3.300 0.280 -2.404 0.00 0.00 +0.006 C ATOM 31 C LIG 1 2.809 -0.996 -1.738 0.00 0.00 +0.025 C ENDBRANCH 23 31 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 -0.211 2.824 -1.427 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -1.506 3.582 -1.537 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -1.776 4.651 -1.019 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.418 2.936 -2.290 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -3.196 3.534 -2.279 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8