REMARK Name = BDB019632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.090 1.465 0.269 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.242 0.212 0.871 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.457 -0.479 0.769 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.514 0.117 0.061 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.378 1.385 -0.529 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.158 2.063 -0.406 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.619 -1.801 1.389 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.265 -1.975 2.634 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -2.827 -0.810 3.405 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -2.406 -3.270 3.158 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.901 -4.369 2.471 0.00 0.00 +0.127 A ATOM 12 F LIG 1 -2.060 -5.591 3.000 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -1.239 -4.221 1.255 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -0.731 -5.418 0.512 0.00 0.00 +0.047 C ATOM 15 C LIG 1 -1.115 -2.933 0.716 0.00 0.00 +0.015 A ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 2.366 1.611 0.079 0.00 0.00 -0.307 N ATOM 17 H LIG 1 3.139 2.264 0.138 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 1.176 2.217 0.398 0.00 0.00 +0.244 C ATOM 19 O LIG 1 1.148 3.383 0.780 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 2.528 0.523 -0.867 0.00 0.00 +0.140 C BRANCH 20 25 ATOM 21 C LIG 1 6.034 -0.242 -2.161 0.00 0.00 +0.124 A ATOM 22 C LIG 1 6.626 -0.812 -1.030 0.00 0.00 +0.091 A ATOM 23 C LIG 1 5.893 -0.948 0.152 0.00 0.00 +0.124 A ATOM 24 C LIG 1 4.566 -0.513 0.196 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.958 0.064 -0.927 0.00 0.00 -0.023 A ATOM 26 C LIG 1 4.706 0.194 -2.102 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 7.977 -0.503 -3.512 0.00 0.00 +0.277 C ATOM 28 O LIG 1 6.635 -0.054 -3.376 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 6.348 -1.489 1.324 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 7.713 -1.886 1.369 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 31 ATOM 31 C LIG 1 -3.549 2.024 -1.234 0.00 0.00 +0.138 C BRANCH 31 32 ATOM 32 N LIG 1 -4.452 2.574 -0.247 0.00 0.00 -0.329 N ATOM 33 H LIG 1 -4.008 2.952 0.581 0.00 0.00 +0.147 HD BRANCH 32 34 ATOM 34 C LIG 1 -5.667 3.087 -0.599 0.00 0.00 +0.090 C ATOM 35 C LIG 1 -6.446 3.893 0.403 0.00 0.00 +0.073 C ATOM 36 C LIG 1 -7.819 3.797 -0.213 0.00 0.00 +0.031 C ATOM 37 C LIG 1 -7.503 3.678 -1.691 0.00 0.00 +0.143 C ATOM 38 N LIG 1 -6.221 2.950 -1.765 0.00 0.00 -0.273 NA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9