REMARK Name = BDB038511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.476 2.830 0.182 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.231 2.351 0.319 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.106 1.184 -0.260 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.817 0.478 -1.023 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -2.132 0.946 -1.153 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -2.449 2.160 -0.539 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.406 0.675 -0.055 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.389 1.297 0.712 0.00 0.00 +0.253 C ATOM 9 O LIG 1 2.399 2.346 1.329 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.562 0.413 0.679 0.00 0.00 +0.044 A ATOM 11 C LIG 1 4.791 0.591 1.290 0.00 0.00 +0.036 A ATOM 12 C LIG 1 5.779 -0.386 1.114 0.00 0.00 +0.028 A ATOM 13 C LIG 1 5.452 -1.542 0.372 0.00 0.00 +0.035 A ATOM 14 C LIG 1 4.197 -1.715 -0.253 0.00 0.00 +0.062 A ATOM 15 C LIG 1 3.255 -0.708 -0.081 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.852 -0.603 -0.584 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.885 -2.965 -1.029 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.149 -2.715 -2.148 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.995 -3.626 -1.457 0.00 0.00 -0.166 F ATOM 20 F LIG 1 3.169 -3.860 -0.299 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 N LIG 1 6.990 -0.232 1.795 0.00 0.00 -0.347 N ATOM 22 H LIG 1 7.202 0.746 1.983 0.00 0.00 +0.146 HD ATOM 23 C LIG 1 8.159 -0.988 1.381 0.00 0.00 +0.125 C ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 5 24 ATOM 24 C LIG 1 -3.151 0.176 -1.900 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -3.433 -1.188 -1.631 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -4.381 -1.880 -2.405 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -5.076 -1.232 -3.429 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -4.820 0.114 -3.690 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -3.867 0.806 -2.937 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -2.742 -1.932 -0.581 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -2.916 -1.783 0.773 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -3.848 -0.929 1.459 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -2.021 -2.619 1.368 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -1.341 -3.260 0.447 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -1.805 -2.841 -0.777 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -6.048 -1.945 -4.205 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.844 -2.515 -4.827 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 1 38 ATOM 38 N LIG 1 -1.712 4.053 0.803 0.00 0.00 -0.329 N ATOM 39 H LIG 1 -0.804 4.293 1.212 0.00 0.00 +0.147 HD BRANCH 38 41 ATOM 40 C LIG 1 -2.403 3.310 3.057 0.00 0.00 +0.024 C ATOM 41 C LIG 1 -2.774 4.088 1.803 0.00 0.00 +0.099 C ENDBRANCH 38 41 ENDBRANCH 1 38 TORSDOF 8