REMARK Name = BDB024033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.590 -1.890 -0.405 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -0.496 -1.164 -0.899 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.586 -0.827 -0.072 0.00 0.00 +0.047 A ATOM 4 C LIG 1 0.563 -1.248 1.254 0.00 0.00 +0.134 A ATOM 5 F LIG 1 1.587 -0.950 2.065 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -0.503 -1.982 1.762 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -1.577 -2.305 0.934 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 1.936 0.105 -0.710 0.00 0.00 +0.122 P ATOM 9 C LIG 1 3.472 -0.802 -0.486 0.00 0.00 +0.089 C ATOM 10 C LIG 1 4.670 0.105 -0.723 0.00 0.00 +0.092 C ATOM 11 N LIG 1 4.711 1.280 0.158 0.00 0.00 -0.299 NA ATOM 12 C LIG 1 3.570 2.187 -0.023 0.00 0.00 +0.092 C ATOM 13 C LIG 1 2.224 1.559 0.309 0.00 0.00 +0.089 C ATOM 14 O LIG 1 1.779 0.516 -2.157 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 5.024 0.973 1.562 0.00 0.00 +0.057 C ATOM 16 C LIG 1 6.454 0.714 1.952 0.00 0.00 +0.020 C ATOM 17 C LIG 1 5.782 1.984 2.379 0.00 0.00 +0.020 C ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 18 ATOM 18 C LIG 1 -2.748 -2.246 -1.312 0.00 0.00 +0.093 C BRANCH 18 26 ATOM 19 O LIG 1 -7.637 -0.659 0.746 0.00 0.00 -0.266 OA ATOM 20 C LIG 1 -6.550 -0.952 0.262 0.00 0.00 +0.272 A ATOM 21 C LIG 1 -5.724 0.046 -0.436 0.00 0.00 +0.050 A ATOM 22 C LIG 1 -4.495 -0.338 -0.968 0.00 0.00 +0.011 A ATOM 23 C LIG 1 -3.714 0.610 -1.640 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -4.166 1.928 -1.768 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.395 2.305 -1.231 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.090 -1.756 -0.783 0.00 0.00 +0.074 A ATOM 27 N LIG 1 -4.834 -2.628 -0.164 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 -6.178 1.365 -0.564 0.00 0.00 +0.014 A ATOM 29 N LIG 1 -6.031 -2.221 0.334 0.00 0.00 -0.242 N ATOM 30 H LIG 1 -6.589 -2.924 0.810 0.00 0.00 +0.192 HD ENDBRANCH 18 26 ENDBRANCH 1 18 TORSDOF 4