REMARK Name = BDB054892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.486 -0.475 -0.724 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.580 0.527 -1.080 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.599 0.218 -1.780 0.00 0.00 -0.029 A ATOM 4 C LIG 1 0.870 -1.116 -2.110 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.030 -2.120 -1.764 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.203 -1.800 -1.078 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.165 0.952 0.472 0.00 0.00 +0.250 C ATOM 8 N LIG 1 -2.690 -0.242 -0.029 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -3.261 -1.063 0.147 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.572 2.024 0.437 0.00 0.00 -0.270 OA BRANCH 7 18 ATOM 11 C LIG 1 -5.819 -1.037 -0.051 0.00 0.00 +0.144 A ATOM 12 C LIG 1 -5.540 0.001 0.892 0.00 0.00 +0.117 A ATOM 13 N LIG 1 -6.522 0.268 1.806 0.00 0.00 -0.234 N ATOM 14 C LIG 1 -6.153 1.325 2.587 0.00 0.00 +0.114 A ATOM 15 C LIG 1 -4.900 1.727 2.188 0.00 0.00 +0.035 A ATOM 16 N LIG 1 -7.675 -0.407 1.917 0.00 0.00 -0.155 NA ATOM 17 C LIG 1 -7.815 -1.357 1.048 0.00 0.00 +0.245 A ATOM 18 C LIG 1 -4.471 0.860 1.132 0.00 0.00 +0.067 A ATOM 19 N LIG 1 -6.932 -1.695 0.052 0.00 0.00 -0.217 NA BRANCH 11 20 ATOM 20 N LIG 1 -4.990 -1.390 -1.078 0.00 0.00 -0.341 N ATOM 21 H LIG 1 -4.543 -0.608 -1.551 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -5.478 -1.982 -1.746 0.00 0.00 +0.144 HD ENDBRANCH 11 20 ENDBRANCH 7 18 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 1.587 1.304 -2.127 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 N LIG 1 2.556 1.479 -1.066 0.00 0.00 -0.295 N ATOM 25 H LIG 1 2.166 1.644 -0.151 0.00 0.00 +0.151 HD ATOM 26 C LIG 1 3.760 0.805 -1.098 0.00 0.00 +0.304 C ATOM 27 N LIG 1 4.486 1.058 0.046 0.00 0.00 -0.269 N ATOM 28 H LIG 1 4.136 1.811 0.619 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 4.105 0.108 -2.043 0.00 0.00 -0.252 OA BRANCH 27 30 ATOM 30 C LIG 1 5.728 0.507 0.420 0.00 0.00 +0.037 A ATOM 31 C LIG 1 6.336 1.017 1.572 0.00 0.00 +0.061 A ATOM 32 C LIG 1 7.560 0.508 1.997 0.00 0.00 +0.125 A ATOM 33 F LIG 1 8.131 1.008 3.101 0.00 0.00 -0.205 F ATOM 34 C LIG 1 8.199 -0.508 1.299 0.00 0.00 +0.038 A ATOM 35 C LIG 1 7.599 -1.025 0.154 0.00 0.00 +0.005 A ATOM 36 C LIG 1 6.367 -0.521 -0.282 0.00 0.00 +0.023 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 6