REMARK Name = BDB031432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.639 0.136 -0.124 0.00 0.00 -0.013 A ATOM 2 C LIG 1 2.626 1.109 -0.150 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.314 0.691 -0.315 0.00 0.00 +0.048 A ATOM 4 C LIG 1 0.094 1.502 -0.384 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -0.978 0.627 -0.464 0.00 0.00 -0.256 N ATOM 6 C LIG 1 -0.532 -0.751 -0.674 0.00 0.00 +0.195 C ATOM 7 O LIG 1 0.096 2.716 -0.376 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.954 -0.641 -0.469 0.00 0.00 +0.054 A ATOM 9 C LIG 1 1.933 -1.605 -0.458 0.00 0.00 +0.132 A ATOM 10 F LIG 1 1.621 -2.898 -0.599 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.266 -1.226 -0.285 0.00 0.00 +0.045 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -0.838 -1.263 -2.097 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.333 -2.566 -2.304 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -1.590 -3.048 -3.591 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.347 -2.237 -4.696 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.663 -2.830 -6.279 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -0.845 -0.951 -4.524 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.587 -0.470 -3.237 0.00 0.00 +0.010 A ENDBRANCH 6 12 BRANCH 1 20 ATOM 19 C LIG 1 5.831 0.385 -1.317 0.00 0.00 +0.046 C ATOM 20 C LIG 1 5.116 0.492 0.034 0.00 0.00 +0.085 C ATOM 21 C LIG 1 5.385 1.872 0.648 0.00 0.00 +0.046 C BRANCH 20 22 ATOM 22 O LIG 1 5.715 -0.467 0.914 0.00 0.00 -0.385 OA ATOM 23 H LIG 1 5.223 -0.435 1.752 0.00 0.00 +0.211 HD ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 6 24 ATOM 24 O LIG 1 -1.225 -1.568 0.271 0.00 0.00 -0.345 OA BRANCH 24 25 ATOM 25 C LIG 1 -0.794 -1.486 1.629 0.00 0.00 +0.198 C BRANCH 25 26 ATOM 26 C LIG 1 -1.873 -2.084 2.489 0.00 0.00 +0.090 C ATOM 27 C LIG 1 -1.589 -2.455 3.917 0.00 0.00 +0.040 C ATOM 28 C LIG 1 -1.816 -3.533 2.892 0.00 0.00 +0.040 C BRANCH 26 29 ATOM 29 O LIG 1 -3.191 -1.571 2.234 0.00 0.00 -0.386 OA ATOM 30 H LIG 1 -3.431 -1.738 1.304 0.00 0.00 +0.210 HD ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 6 24 BRANCH 5 31 ATOM 31 C LIG 1 -2.330 1.052 -0.808 0.00 0.00 +0.166 C BRANCH 31 32 ATOM 32 C LIG 1 -2.931 2.099 0.108 0.00 0.00 +0.059 A ATOM 33 N LIG 1 -3.500 3.180 -0.487 0.00 0.00 -0.257 NA ATOM 34 C LIG 1 -4.046 4.127 0.315 0.00 0.00 +0.130 A ATOM 35 C LIG 1 -4.081 4.040 1.696 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -3.525 2.911 2.293 0.00 0.00 +0.022 A ATOM 37 C LIG 1 -2.946 1.927 1.491 0.00 0.00 +0.026 A BRANCH 35 38 ATOM 38 C LIG 1 -4.678 5.077 2.475 0.00 0.00 +0.101 C ATOM 39 N LIG 1 -5.166 5.917 3.109 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 10