REMARK Name = BDB040151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.922 1.616 -0.792 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.639 1.143 -1.105 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.607 1.416 -0.223 0.00 0.00 +0.044 A ATOM 4 C LIG 1 0.806 1.030 -0.316 0.00 0.00 +0.251 C ATOM 5 N LIG 1 1.448 1.559 0.808 0.00 0.00 -0.263 N ATOM 6 C LIG 1 0.506 2.260 1.673 0.00 0.00 +0.151 C ATOM 7 O LIG 1 1.228 0.353 -1.236 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.788 2.140 0.947 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.041 2.621 1.266 0.00 0.00 +0.047 A ATOM 10 CL LIG 1 -2.305 3.522 2.703 0.00 0.00 -0.083 Cl ATOM 11 C LIG 1 -3.107 2.364 0.395 0.00 0.00 +0.025 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 2.833 1.468 1.114 0.00 0.00 +0.037 A ATOM 13 C LIG 1 3.755 0.916 0.209 0.00 0.00 +0.027 A ATOM 14 C LIG 1 5.141 0.803 0.475 0.00 0.00 -0.039 A ATOM 15 C LIG 1 5.568 1.262 1.733 0.00 0.00 +0.004 A ATOM 16 C LIG 1 4.681 1.825 2.649 0.00 0.00 +0.002 A ATOM 17 C LIG 1 3.327 1.934 2.338 0.00 0.00 +0.023 A BRANCH 14 18 ATOM 18 C LIG 1 6.158 0.144 -0.603 0.00 0.00 +0.013 C ATOM 19 C LIG 1 6.025 0.673 -2.076 0.00 0.00 +0.087 C ATOM 20 C LIG 1 7.169 1.663 -1.778 0.00 0.00 +0.251 C ATOM 21 F LIG 1 6.783 2.891 -1.364 0.00 0.00 -0.206 F ATOM 22 F LIG 1 8.049 1.853 -2.786 0.00 0.00 -0.206 F ATOM 23 C LIG 1 7.626 0.699 -0.667 0.00 0.00 +0.087 C BRANCH 18 24 ATOM 24 C LIG 1 6.070 -1.395 -0.534 0.00 0.00 +0.088 C BRANCH 24 25 ATOM 25 C LIG 1 6.531 -1.928 0.778 0.00 0.00 +0.134 A ATOM 26 N LIG 1 5.733 -2.511 1.729 0.00 0.00 -0.320 N ATOM 27 C LIG 1 4.317 -2.750 1.668 0.00 0.00 +0.151 C ATOM 28 C LIG 1 6.552 -2.823 2.770 0.00 0.00 +0.224 A ATOM 29 N LIG 1 7.780 -2.462 2.486 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 7.769 -1.904 1.230 0.00 0.00 -0.135 NA ENDBRANCH 24 25 ENDBRANCH 18 24 ENDBRANCH 14 18 ENDBRANCH 5 12 BRANCH 1 31 ATOM 31 C LIG 1 -4.089 1.348 -1.724 0.00 0.00 +0.120 C BRANCH 31 33 ATOM 32 C LIG 1 -5.679 0.036 -0.302 0.00 0.00 +0.074 C ATOM 33 N LIG 1 -4.834 0.102 -1.515 0.00 0.00 -0.293 NA ATOM 34 C LIG 1 -4.034 -1.109 -1.736 0.00 0.00 +0.100 C ATOM 35 C LIG 1 -4.844 -2.417 -1.583 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.642 -2.519 -0.349 0.00 0.00 -0.303 NA ATOM 37 C LIG 1 -5.343 -3.727 0.407 0.00 0.00 +0.105 C ATOM 38 C LIG 1 -5.527 -1.313 0.480 0.00 0.00 +0.103 C BRANCH 32 40 ATOM 39 C LIG 1 -7.390 1.815 -1.033 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -7.181 0.356 -0.610 0.00 0.00 +0.001 C ATOM 41 C LIG 1 -7.839 -0.558 -1.649 0.00 0.00 +0.009 C ENDBRANCH 32 40 ENDBRANCH 31 33 ENDBRANCH 1 31 TORSDOF 7