REMARK Name = BDB019897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.051 0.280 0.730 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.450 1.465 0.102 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.591 1.496 -0.711 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.337 0.315 -0.866 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.963 -0.880 -0.227 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.811 -0.887 0.574 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.015 2.740 -1.373 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.304 3.307 -2.455 0.00 0.00 -0.043 A ATOM 9 C LIG 1 -0.055 2.672 -3.006 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.755 4.511 -3.023 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -2.905 5.141 -2.549 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -3.618 4.579 -1.496 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.176 3.391 -0.914 0.00 0.00 +0.009 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 1.911 -0.858 1.599 0.00 0.00 -0.304 N ATOM 15 H LIG 1 1.705 -1.586 0.933 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 1.175 0.306 1.572 0.00 0.00 +0.245 C ATOM 17 O LIG 1 1.490 1.329 2.167 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.213 -0.909 2.238 0.00 0.00 +0.107 C BRANCH 18 25 ATOM 19 C LIG 1 5.417 -0.486 -2.338 0.00 0.00 +0.047 C ATOM 20 C LIG 1 5.383 -0.183 -0.871 0.00 0.00 -0.015 A ATOM 21 C LIG 1 6.416 0.544 -0.280 0.00 0.00 +0.126 A ATOM 22 F LIG 1 7.432 0.993 -1.032 0.00 0.00 -0.205 F ATOM 23 C LIG 1 6.418 0.817 1.082 0.00 0.00 +0.039 A ATOM 24 C LIG 1 5.375 0.348 1.882 0.00 0.00 +0.008 A ATOM 25 C LIG 1 4.323 -0.402 1.325 0.00 0.00 -0.027 A ATOM 26 C LIG 1 4.345 -0.663 -0.058 0.00 0.00 +0.011 A ENDBRANCH 18 25 BRANCH 18 27 ATOM 27 C LIG 1 3.415 -2.316 2.756 0.00 0.00 +0.014 C ATOM 28 C LIG 1 4.742 -3.043 2.778 0.00 0.00 +0.006 C ATOM 29 C LIG 1 3.648 -3.510 1.856 0.00 0.00 +0.006 C ENDBRANCH 18 27 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 -2.803 -2.129 -0.384 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.082 -1.994 0.278 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -5.301 -1.702 -0.347 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -5.572 -1.525 -1.591 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -4.730 -1.633 -2.152 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -6.216 -1.627 0.706 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -7.586 -1.212 0.531 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -5.566 -1.811 1.915 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -4.272 -2.044 1.658 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7