REMARK Name = BDB034188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.035 0.092 -0.826 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.224 -0.335 -0.510 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -2.233 0.583 -0.842 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.550 0.256 -0.573 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -4.795 1.043 -0.798 0.00 0.00 +0.144 C ATOM 6 N LIG 1 -5.840 0.113 -0.390 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -5.314 -1.035 0.186 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -5.903 -1.939 0.746 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -3.859 -0.965 0.017 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -2.894 -1.891 0.356 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -1.560 -1.567 0.083 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 -7.226 0.545 -0.245 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -7.490 1.103 1.162 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -6.638 1.681 1.835 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -8.792 1.034 1.603 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.970 1.433 2.514 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -9.894 0.595 0.913 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -11.023 0.725 1.377 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -9.651 0.038 -0.470 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -8.248 -0.536 -0.596 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 2.365 0.303 -0.217 0.00 0.00 +0.097 C ATOM 22 C LIG 1 1.176 -0.689 -0.418 0.00 0.00 +0.190 C ATOM 23 C LIG 1 1.499 -1.738 -1.490 0.00 0.00 +0.046 C ATOM 24 C LIG 1 1.846 -1.088 -2.828 0.00 0.00 +0.004 C ATOM 25 C LIG 1 3.007 -0.110 -2.695 0.00 0.00 +0.002 C ATOM 26 C LIG 1 2.791 0.910 -1.575 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 5.336 -0.290 1.402 0.00 0.00 +0.048 C ATOM 28 C LIG 1 4.680 -0.696 0.043 0.00 0.00 +0.094 C ATOM 29 N LIG 1 3.376 -0.339 0.649 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 4.095 0.654 1.486 0.00 0.00 +0.094 C BRANCH 27 32 ATOM 31 C LIG 1 7.935 -0.343 0.873 0.00 0.00 +0.058 A ATOM 32 C LIG 1 6.809 0.336 1.408 0.00 0.00 -0.024 A ATOM 33 C LIG 1 7.061 1.603 1.985 0.00 0.00 +0.008 A ATOM 34 C LIG 1 8.338 2.171 2.010 0.00 0.00 +0.039 A ATOM 35 C LIG 1 9.403 1.477 1.462 0.00 0.00 +0.125 A ATOM 36 F LIG 1 10.628 2.017 1.485 0.00 0.00 -0.205 F ATOM 37 C LIG 1 9.218 0.226 0.897 0.00 0.00 +0.057 A BRANCH 31 39 ATOM 38 N LIG 1 7.676 -2.701 -0.181 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 7.792 -1.649 0.295 0.00 0.00 +0.100 C ENDBRANCH 31 39 ENDBRANCH 27 32 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6