REMARK Name = BDB065280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.485 -0.442 0.232 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -2.349 -1.253 0.101 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.165 -0.688 -0.396 0.00 0.00 +0.090 A ATOM 4 N LIG 1 0.032 -1.291 -0.652 0.00 0.00 -0.230 NA ATOM 5 C LIG 1 0.830 -0.357 -1.136 0.00 0.00 +0.132 A ATOM 6 N LIG 1 0.184 0.873 -1.135 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -1.120 0.661 -0.726 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -2.247 1.486 -0.622 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.426 0.909 -0.131 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -5.315 0.478 2.816 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -5.535 -0.612 1.838 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -4.723 -0.997 0.738 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.395 -2.065 0.185 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -5.167 -2.955 -0.970 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -6.525 -2.303 0.905 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -6.619 -1.391 1.939 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 5 17 ATOM 17 C LIG 1 2.218 -0.604 -1.670 0.00 0.00 +0.151 C ATOM 18 N LIG 1 2.840 -1.852 -1.222 0.00 0.00 -0.258 N ATOM 19 C LIG 1 3.533 -2.459 -2.296 0.00 0.00 +0.255 C ATOM 20 O LIG 1 4.233 -3.461 -2.286 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 3.370 -1.573 -3.509 0.00 0.00 +0.254 C ATOM 22 F LIG 1 3.183 -2.237 -4.678 0.00 0.00 -0.236 F ATOM 23 C LIG 1 2.138 -0.770 -3.184 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 2.950 -2.284 0.138 0.00 0.00 +0.040 A ATOM 25 C LIG 1 3.384 -3.581 0.457 0.00 0.00 +0.064 A ATOM 26 C LIG 1 3.494 -3.999 1.784 0.00 0.00 +0.160 A ATOM 27 F LIG 1 3.908 -5.246 2.048 0.00 0.00 -0.202 F ATOM 28 C LIG 1 3.174 -3.141 2.821 0.00 0.00 +0.159 A ATOM 29 F LIG 1 3.280 -3.542 4.095 0.00 0.00 -0.202 F ATOM 30 C LIG 1 2.735 -1.857 2.543 0.00 0.00 +0.043 A ATOM 31 C LIG 1 2.624 -1.436 1.211 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 5 17 BRANCH 6 32 ATOM 32 C LIG 1 0.695 2.136 -1.640 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 1.253 3.149 -0.619 0.00 0.00 +0.013 C ATOM 34 C LIG 1 2.534 2.678 0.085 0.00 0.00 +0.033 C ATOM 35 C LIG 1 2.835 3.482 1.349 0.00 0.00 +0.160 C ATOM 36 O LIG 1 2.270 4.781 1.249 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 0.843 4.754 1.285 0.00 0.00 +0.160 C ATOM 38 C LIG 1 0.247 3.636 0.425 0.00 0.00 +0.033 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 5