REMARK Name = BDB010899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.385 -1.820 -0.772 0.00 0.00 +0.154 A ATOM 2 N LIG 1 -0.606 -0.841 -0.795 0.00 0.00 -0.321 N ATOM 3 C LIG 1 -1.757 -1.398 -0.264 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -1.376 -2.679 0.104 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -2.176 -3.575 0.699 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -3.412 -3.114 0.911 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -3.891 -1.896 0.583 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -3.072 -1.009 -0.027 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -0.082 -2.928 -0.218 0.00 0.00 -0.209 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.362 -4.031 1.574 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -3.875 -5.256 1.902 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -4.930 -5.883 2.486 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -4.932 -7.016 2.934 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -5.967 -4.993 2.466 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -6.895 -5.164 2.829 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -5.607 -3.818 1.888 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -3.677 0.258 -0.391 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -4.095 0.525 -1.702 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.673 1.754 -2.006 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -5.172 2.110 -3.609 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -4.826 2.684 -0.990 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -4.450 2.462 0.292 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -3.906 1.250 0.562 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 1.813 -1.651 -1.295 0.00 0.00 +0.194 C ATOM 25 F LIG 1 1.761 -0.760 -2.338 0.00 0.00 -0.229 F ATOM 26 C LIG 1 2.298 -2.970 -1.915 0.00 0.00 +0.061 C BRANCH 24 28 ATOM 27 C LIG 1 3.905 -0.391 -0.479 0.00 0.00 +0.127 A ATOM 28 C LIG 1 2.807 -1.233 -0.196 0.00 0.00 +0.038 A ATOM 29 C LIG 1 2.667 -1.725 1.121 0.00 0.00 +0.011 A ATOM 30 C LIG 1 3.554 -1.358 2.132 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.610 -0.505 1.846 0.00 0.00 +0.004 A ATOM 32 C LIG 1 4.790 -0.030 0.547 0.00 0.00 +0.046 A BRANCH 27 34 ATOM 33 C LIG 1 5.111 0.899 -2.094 0.00 0.00 +0.277 C ATOM 34 O LIG 1 4.039 0.021 -1.777 0.00 0.00 -0.495 OA ENDBRANCH 27 34 ENDBRANCH 24 28 ENDBRANCH 1 24 BRANCH 2 35 ATOM 35 C LIG 1 -0.458 0.513 -1.304 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 0.387 1.464 -0.438 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.138 1.615 0.993 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.810 2.461 1.850 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.399 3.683 1.122 0.00 0.00 -0.014 C ATOM 40 C LIG 1 2.890 3.497 0.827 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.617 4.014 -0.152 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.505 2.839 -1.126 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 7