REMARK Name = BDB065275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.701 0.315 -0.740 0.00 0.00 +0.132 A ATOM 2 N LIG 1 -0.315 0.958 -0.046 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.352 0.043 0.111 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -0.902 -1.112 -0.511 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -1.713 -2.255 -0.546 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -2.979 -2.208 0.053 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -3.418 -1.030 0.671 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.616 0.118 0.713 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.346 -0.927 -1.022 0.00 0.00 -0.230 NA ENDROOT BRANCH 1 11 ATOM 10 N LIG 1 2.966 -0.173 -1.525 0.00 0.00 -0.257 N ATOM 11 C LIG 1 2.046 0.885 -1.116 0.00 0.00 +0.151 C ATOM 12 C LIG 1 1.985 1.786 -2.341 0.00 0.00 +0.077 C ATOM 13 C LIG 1 2.127 0.820 -3.500 0.00 0.00 +0.254 C ATOM 14 F LIG 1 0.896 0.391 -3.884 0.00 0.00 -0.236 F ATOM 15 C LIG 1 2.997 -0.280 -2.927 0.00 0.00 +0.255 C ATOM 16 O LIG 1 3.614 -1.082 -3.614 0.00 0.00 -0.272 OA BRANCH 10 21 ATOM 17 C LIG 1 4.963 -2.743 1.141 0.00 0.00 +0.233 A ATOM 18 C LIG 1 4.108 -1.778 1.660 0.00 0.00 +0.104 A ATOM 19 CL LIG 1 3.842 -1.589 3.354 0.00 0.00 -0.078 Cl ATOM 20 C LIG 1 3.442 -0.926 0.775 0.00 0.00 +0.050 A ATOM 21 C LIG 1 3.629 -1.043 -0.609 0.00 0.00 +0.057 A ATOM 22 C LIG 1 4.505 -2.052 -1.018 0.00 0.00 +0.138 A ATOM 23 N LIG 1 5.179 -2.890 -0.183 0.00 0.00 -0.218 NA BRANCH 17 25 ATOM 24 C LIG 1 6.424 -4.561 1.382 0.00 0.00 +0.279 C ATOM 25 O LIG 1 5.626 -3.572 2.024 0.00 0.00 -0.479 OA ENDBRANCH 17 25 ENDBRANCH 10 21 ENDBRANCH 1 11 BRANCH 6 26 ATOM 26 C LIG 1 -3.835 -3.375 0.013 0.00 0.00 +0.047 A ATOM 27 C LIG 1 -4.350 -4.017 1.119 0.00 0.00 +0.142 A ATOM 28 C LIG 1 -4.254 -3.817 2.577 0.00 0.00 +0.090 C ATOM 29 O LIG 1 -5.103 -5.074 0.711 0.00 0.00 -0.359 OA ATOM 30 N LIG 1 -5.084 -5.155 -0.668 0.00 0.00 -0.083 NA ATOM 31 C LIG 1 -4.318 -4.138 -1.083 0.00 0.00 +0.088 A ATOM 32 C LIG 1 -4.082 -3.930 -2.531 0.00 0.00 +0.070 C ENDBRANCH 6 26 BRANCH 2 33 ATOM 33 C LIG 1 -0.428 2.337 0.431 0.00 0.00 +0.089 C ATOM 34 C LIG 1 -1.191 3.220 -0.580 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.920 4.719 -0.397 0.00 0.00 +0.033 C ATOM 36 C LIG 1 -0.696 5.084 1.073 0.00 0.00 +0.118 C ATOM 37 C LIG 1 0.546 4.361 1.623 0.00 0.00 +0.033 C ATOM 38 C LIG 1 0.851 3.031 0.911 0.00 0.00 +0.027 C BRANCH 36 39 ATOM 39 O LIG 1 -1.812 4.662 1.865 0.00 0.00 -0.380 OA ATOM 40 C LIG 1 -2.917 5.557 1.808 0.00 0.00 +0.194 C ENDBRANCH 36 39 ENDBRANCH 2 33 TORSDOF 6