REMARK Name = BDB024040 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.667 -1.084 -0.194 0.00 0.00 +0.047 A ATOM 2 C LIG 1 0.583 -0.997 -1.579 0.00 0.00 +0.134 A ATOM 3 F LIG 1 -0.555 -0.600 -2.158 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.664 -1.320 -2.394 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.864 -1.737 -1.821 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.988 -1.829 -0.429 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.879 -1.514 0.371 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 -3.746 0.014 0.219 0.00 0.00 -0.301 NA ATOM 9 C LIG 1 -3.114 -1.190 -0.336 0.00 0.00 +0.092 C ATOM 10 C LIG 1 -2.070 -1.798 0.587 0.00 0.00 +0.089 C ATOM 11 P LIG 1 -0.686 -0.680 0.862 0.00 0.00 +0.122 P ATOM 12 O LIG 1 -0.326 -0.671 2.331 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 -1.402 0.911 0.413 0.00 0.00 +0.089 C ATOM 14 C LIG 1 -2.846 0.966 0.890 0.00 0.00 +0.092 C BRANCH 8 15 ATOM 15 C LIG 1 -4.644 0.653 -0.759 0.00 0.00 +0.090 C BRANCH 15 17 ATOM 16 C LIG 1 -6.769 -0.241 0.317 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -6.048 1.020 -0.193 0.00 0.00 -0.025 C ATOM 18 C LIG 1 -6.882 1.633 -1.336 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -5.970 2.047 0.949 0.00 0.00 +0.012 C ENDBRANCH 15 17 ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 4.284 -2.287 0.202 0.00 0.00 +0.093 C BRANCH 20 21 ATOM 21 C LIG 1 5.477 -1.425 -0.195 0.00 0.00 +0.074 A ATOM 22 C LIG 1 5.712 -0.121 0.478 0.00 0.00 +0.011 A ATOM 23 C LIG 1 6.806 0.627 0.048 0.00 0.00 +0.050 A ATOM 24 C LIG 1 7.097 1.869 0.626 0.00 0.00 +0.014 A ATOM 25 C LIG 1 6.284 2.365 1.644 0.00 0.00 +0.001 A ATOM 26 C LIG 1 5.189 1.622 2.081 0.00 0.00 +0.001 A ATOM 27 C LIG 1 7.664 0.096 -1.024 0.00 0.00 +0.272 A ATOM 28 O LIG 1 8.636 0.719 -1.434 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 7.311 -1.131 -1.528 0.00 0.00 -0.242 N ATOM 30 H LIG 1 7.893 -1.514 -2.266 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 4.901 0.382 1.503 0.00 0.00 +0.010 A ATOM 32 N LIG 1 6.247 -1.882 -1.140 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 5