REMARK Name = BDB009924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.859 -0.859 0.397 0.00 0.00 -0.288 N ATOM 2 C LIG 1 -0.506 0.577 0.254 0.00 0.00 +0.114 C ATOM 3 C LIG 1 1.003 0.917 0.381 0.00 0.00 +0.045 C ATOM 4 C LIG 1 1.664 0.018 1.424 0.00 0.00 +0.026 C ATOM 5 C LIG 1 1.488 -1.465 1.081 0.00 0.00 +0.047 C ATOM 6 C LIG 1 2.097 -2.289 2.239 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.011 -1.790 1.000 0.00 0.00 +0.222 C ATOM 8 O LIG 1 -0.413 -2.903 1.347 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.038 1.155 -1.065 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.708 2.390 -1.070 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -2.184 2.935 -2.265 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.993 2.250 -3.463 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -2.581 2.921 -4.934 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.329 1.026 -3.478 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.850 0.482 -2.284 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 1.255 2.389 0.705 0.00 0.00 -0.041 A ATOM 17 C LIG 1 0.806 2.972 1.902 0.00 0.00 +0.024 A ATOM 18 C LIG 1 1.039 4.324 2.160 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 0.471 5.021 3.628 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 1.720 5.114 1.239 0.00 0.00 +0.020 A ATOM 21 C LIG 1 2.174 4.548 0.049 0.00 0.00 +0.002 A ATOM 22 C LIG 1 1.944 3.196 -0.215 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 -2.323 -1.195 0.371 0.00 0.00 +0.105 C BRANCH 23 25 ATOM 24 C LIG 1 -3.786 -2.315 -1.411 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -2.573 -2.452 -0.498 0.00 0.00 +0.022 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 -2.926 -1.269 1.812 0.00 0.00 +0.132 C ATOM 27 C LIG 1 -4.396 -1.670 1.863 0.00 0.00 +0.039 C BRANCH 26 28 ATOM 28 O LIG 1 -2.810 0.020 2.443 0.00 0.00 -0.390 OA ATOM 29 H LIG 1 -3.471 0.608 2.038 0.00 0.00 +0.210 HD ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 30 ATOM 30 C LIG 1 2.110 -1.927 -0.271 0.00 0.00 +0.049 C BRANCH 30 31 ATOM 31 C LIG 1 3.617 -1.700 -0.440 0.00 0.00 +0.141 C BRANCH 31 32 ATOM 32 O LIG 1 3.891 -0.315 -0.681 0.00 0.00 -0.389 OA ATOM 33 H LIG 1 3.532 -0.084 -1.557 0.00 0.00 +0.210 HD ENDBRANCH 31 32 BRANCH 31 34 ATOM 34 C LIG 1 4.181 -2.502 -1.622 0.00 0.00 +0.187 C BRANCH 34 35 ATOM 35 O LIG 1 5.576 -2.238 -1.761 0.00 0.00 -0.392 OA ATOM 36 H LIG 1 5.720 -1.323 -1.450 0.00 0.00 +0.210 HD ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 11