REMARK Name = BDB048541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.096 -1.323 -0.227 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.444 0.037 -0.061 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.773 0.405 0.160 0.00 0.00 +0.033 A ATOM 4 C LIG 1 2.790 -0.564 0.236 0.00 0.00 -0.016 A ATOM 5 C LIG 1 2.431 -1.913 0.083 0.00 0.00 +0.010 A ATOM 6 C LIG 1 1.103 -2.289 -0.146 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.520 -4.140 -0.494 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -3.108 -4.004 -0.840 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -2.258 -3.832 0.358 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -1.880 -2.373 0.702 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -1.269 -1.650 -0.446 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.493 -2.299 -1.763 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -2.911 -2.907 -1.814 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 4.191 -0.174 0.476 0.00 0.00 -0.018 A ATOM 15 C LIG 1 4.531 0.691 1.533 0.00 0.00 +0.011 A ATOM 16 C LIG 1 5.859 1.066 1.767 0.00 0.00 +0.033 A ATOM 17 C LIG 1 6.870 0.574 0.935 0.00 0.00 +0.126 A ATOM 18 C LIG 1 6.559 -0.285 -0.125 0.00 0.00 +0.033 A ATOM 19 C LIG 1 5.228 -0.652 -0.347 0.00 0.00 +0.011 A BRANCH 17 20 ATOM 20 N LIG 1 8.265 0.961 1.175 0.00 0.00 +0.056 N ATOM 21 O LIG 1 9.128 0.510 0.408 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 8.500 1.713 2.131 0.00 0.00 -0.126 OA ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 2 23 ATOM 23 N LIG 1 -0.628 0.951 -0.144 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -1.509 0.469 -0.305 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -0.611 2.309 0.065 0.00 0.00 +0.248 C ATOM 26 O LIG 1 0.345 2.988 0.419 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -1.918 2.997 -0.135 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -2.197 4.130 0.640 0.00 0.00 +0.048 A ATOM 29 C LIG 1 -3.412 4.798 0.452 0.00 0.00 +0.162 A ATOM 30 C LIG 1 -4.342 4.357 -0.482 0.00 0.00 +0.153 A ATOM 31 F LIG 1 -5.524 4.967 -0.642 0.00 0.00 -0.203 F ATOM 32 C LIG 1 -4.059 3.239 -1.262 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -2.846 2.561 -1.096 0.00 0.00 +0.016 A BRANCH 29 34 ATOM 34 N LIG 1 -3.712 5.964 1.254 0.00 0.00 +0.059 N ATOM 35 O LIG 1 -3.482 5.881 2.469 0.00 0.00 -0.126 OA ATOM 36 O LIG 1 -4.150 6.965 0.673 0.00 0.00 -0.126 OA ENDBRANCH 29 34 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 6