REMARK Name = BDB049607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.943 0.827 0.833 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -1.850 2.248 0.930 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.784 2.650 0.137 0.00 0.00 +0.146 A ATOM 4 N LIG 1 -0.382 3.916 -0.095 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -1.107 4.843 0.568 0.00 0.00 +0.216 A ATOM 6 C LIG 1 -2.188 4.576 1.395 0.00 0.00 +0.068 A ATOM 7 N LIG 1 -0.189 1.521 -0.379 0.00 0.00 -0.324 N ATOM 8 C LIG 1 -2.583 3.253 1.587 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -0.884 0.393 0.033 0.00 0.00 +0.029 A ATOM 10 C LIG 1 -0.458 -0.990 -0.333 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -2.952 0.004 1.494 0.00 0.00 +0.195 C ATOM 12 O LIG 1 -3.195 0.120 2.692 0.00 0.00 -0.287 OA BRANCH 11 16 ATOM 13 C LIG 1 -5.275 -2.847 -0.738 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -5.064 -3.013 0.631 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -4.306 -2.076 1.343 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -3.743 -0.971 0.691 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -3.969 -0.797 -0.679 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -4.727 -1.736 -1.385 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 -6.596 -4.814 -0.934 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -5.990 -3.684 -1.549 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 O LIG 1 -0.787 6.184 0.430 0.00 0.00 -0.480 OA ATOM 22 C LIG 1 0.399 6.396 -0.330 0.00 0.00 +0.279 C ENDBRANCH 5 21 BRANCH 7 23 ATOM 23 C LIG 1 0.956 1.566 -1.288 0.00 0.00 +0.161 C BRANCH 23 24 ATOM 24 C LIG 1 2.222 1.025 -0.683 0.00 0.00 +0.011 A ATOM 25 C LIG 1 2.841 1.662 0.392 0.00 0.00 +0.128 A ATOM 26 F LIG 1 2.325 2.787 0.901 0.00 0.00 -0.205 F ATOM 27 C LIG 1 4.014 1.160 0.947 0.00 0.00 +0.042 A ATOM 28 C LIG 1 4.598 0.001 0.428 0.00 0.00 +0.048 A ATOM 29 C LIG 1 4.008 -0.652 -0.651 0.00 0.00 +0.122 A ATOM 30 C LIG 1 2.833 -0.127 -1.206 0.00 0.00 +0.054 A BRANCH 29 31 ATOM 31 O LIG 1 4.453 -1.782 -1.272 0.00 0.00 -0.478 OA BRANCH 31 32 ATOM 32 C LIG 1 5.504 -2.567 -0.721 0.00 0.00 +0.278 C ATOM 33 C LIG 1 6.872 -1.986 -1.074 0.00 0.00 +0.064 C BRANCH 32 34 ATOM 34 C LIG 1 5.397 -2.991 0.748 0.00 0.00 +0.346 C ATOM 35 O LIG 1 6.260 -2.886 1.606 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 4.203 -3.546 1.050 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 4.259 -3.747 2.007 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 10