REMARK Name = BDB024001 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.751 -0.858 -0.277 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.562 -0.959 1.096 0.00 0.00 +0.134 A ATOM 3 F LIG 1 0.601 -0.580 1.639 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.557 -1.453 1.933 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.777 -1.857 1.393 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.006 -1.763 0.013 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.981 -1.275 -0.811 0.00 0.00 +0.018 A ENDROOT BRANCH 1 13 ATOM 8 O LIG 1 5.100 2.256 -1.266 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 4.796 1.178 -0.751 0.00 0.00 +0.219 C ATOM 10 N LIG 1 3.475 0.719 -0.768 0.00 0.00 -0.300 N ATOM 11 C LIG 1 2.467 1.637 -1.317 0.00 0.00 +0.115 C ATOM 12 C LIG 1 1.072 1.377 -0.783 0.00 0.00 +0.093 C ATOM 13 P LIG 1 0.500 -0.233 -1.348 0.00 0.00 +0.122 P ATOM 14 O LIG 1 0.071 -0.131 -2.795 0.00 0.00 -0.316 OA ATOM 15 C LIG 1 1.995 -1.231 -1.245 0.00 0.00 +0.093 C ATOM 16 C LIG 1 3.054 -0.623 -0.343 0.00 0.00 +0.115 C BRANCH 9 17 ATOM 17 C LIG 1 5.857 0.304 -0.077 0.00 0.00 +0.075 C ATOM 18 C LIG 1 5.604 0.120 1.431 0.00 0.00 +0.013 C ATOM 19 C LIG 1 6.877 0.571 2.142 0.00 0.00 +0.001 C ATOM 20 C LIG 1 7.964 0.417 1.095 0.00 0.00 +0.001 C ATOM 21 C LIG 1 7.273 0.895 -0.171 0.00 0.00 +0.013 C ENDBRANCH 9 17 ENDBRANCH 1 13 BRANCH 6 22 ATOM 22 C LIG 1 -4.324 -2.208 -0.582 0.00 0.00 +0.093 C BRANCH 22 23 ATOM 23 C LIG 1 -5.524 -1.494 0.027 0.00 0.00 +0.074 A ATOM 24 C LIG 1 -5.884 -0.123 -0.421 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -6.978 0.480 0.198 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -7.380 1.773 -0.162 0.00 0.00 +0.014 A ATOM 27 C LIG 1 -6.683 2.466 -1.149 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.589 1.868 -1.774 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -7.714 -0.258 1.237 0.00 0.00 +0.272 A ATOM 30 O LIG 1 -8.681 0.233 1.808 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -7.255 -1.520 1.521 0.00 0.00 -0.242 N ATOM 32 H LIG 1 -7.753 -2.045 2.233 0.00 0.00 +0.192 HD ATOM 33 C LIG 1 -5.189 0.577 -1.414 0.00 0.00 +0.010 A ATOM 34 N LIG 1 -6.188 -2.134 0.946 0.00 0.00 -0.175 NA ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 4