REMARK Name = BDB024030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.766 2.994 -0.919 0.00 0.00 +0.047 A ATOM 2 C LIG 1 1.667 3.510 -1.849 0.00 0.00 +0.134 A ATOM 3 F LIG 1 1.246 3.837 -3.078 0.00 0.00 -0.205 F ATOM 4 C LIG 1 3.016 3.670 -1.546 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.501 3.277 -0.299 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.631 2.720 0.643 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.263 2.619 0.334 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 -2.591 0.143 -0.773 0.00 0.00 -0.314 N ATOM 9 C LIG 1 -1.942 0.899 0.312 0.00 0.00 +0.114 C ATOM 10 C LIG 1 -1.979 2.386 0.026 0.00 0.00 +0.093 C ATOM 11 P LIG 1 -0.922 2.771 -1.388 0.00 0.00 +0.122 P ATOM 12 O LIG 1 -1.549 3.911 -2.155 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 -1.008 1.243 -2.348 0.00 0.00 +0.093 C ATOM 14 C LIG 1 -2.360 0.586 -2.165 0.00 0.00 +0.114 C BRANCH 8 16 ATOM 15 C LIG 1 -3.390 -2.160 -0.890 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -2.353 -1.246 -0.639 0.00 0.00 +0.127 A ATOM 17 N LIG 1 -1.113 -1.649 -0.270 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 -0.887 -2.973 -0.128 0.00 0.00 +0.113 A ATOM 19 C LIG 1 -1.841 -3.943 -0.351 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -3.109 -3.527 -0.736 0.00 0.00 +0.011 A BRANCH 15 22 ATOM 21 C LIG 1 -5.588 -1.375 0.032 0.00 0.00 +0.043 C ATOM 22 C LIG 1 -4.789 -1.696 -1.227 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 -5.489 -2.707 -1.963 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 -6.351 -2.330 -2.204 0.00 0.00 +0.210 HD ENDBRANCH 22 23 ENDBRANCH 15 22 ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 6 25 ATOM 25 C LIG 1 3.141 2.203 1.972 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 2.791 0.730 2.174 0.00 0.00 +0.074 A ATOM 27 C LIG 1 3.612 -0.327 1.529 0.00 0.00 +0.011 A ATOM 28 C LIG 1 3.180 -1.644 1.674 0.00 0.00 +0.050 A ATOM 29 C LIG 1 3.890 -2.699 1.087 0.00 0.00 +0.014 A ATOM 30 C LIG 1 5.042 -2.433 0.349 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.482 -1.118 0.202 0.00 0.00 +0.001 A ATOM 32 C LIG 1 1.966 -1.920 2.457 0.00 0.00 +0.272 A ATOM 33 O LIG 1 1.540 -3.063 2.589 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 1.354 -0.832 3.028 0.00 0.00 -0.242 N ATOM 35 H LIG 1 0.504 -1.005 3.555 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 4.772 -0.066 0.790 0.00 0.00 +0.010 A ATOM 37 N LIG 1 1.731 0.467 2.885 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 6