REMARK Name = BDB035296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.870 -1.690 -0.283 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -2.335 -2.736 0.449 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -3.623 -2.779 0.870 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.507 -1.758 0.551 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.065 -0.660 -0.185 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.728 -0.646 -0.611 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.654 -0.677 -2.431 0.00 0.00 +0.031 A ATOM 8 N LIG 1 2.384 -0.140 -2.435 0.00 0.00 -0.353 N ATOM 9 H LIG 1 2.107 0.725 -2.883 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.544 -0.944 -1.711 0.00 0.00 +0.114 A ATOM 11 C LIG 1 2.278 -2.017 -1.265 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.615 -3.004 -0.489 0.00 0.00 +0.078 A ATOM 13 C LIG 1 0.303 -2.846 -0.217 0.00 0.00 +0.115 A ATOM 14 N LIG 1 -0.472 -1.742 -0.660 0.00 0.00 -0.265 N ATOM 15 C LIG 1 0.136 -0.722 -1.451 0.00 0.00 +0.281 A ATOM 16 O LIG 1 -0.409 0.277 -1.908 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.604 -1.865 -1.717 0.00 0.00 +0.034 A BRANCH 12 18 ATOM 18 C LIG 1 2.326 -4.140 -0.004 0.00 0.00 +0.101 C ATOM 19 N LIG 1 2.901 -5.066 0.394 0.00 0.00 -0.191 NA ENDBRANCH 12 18 BRANCH 7 20 ATOM 20 C LIG 1 4.792 -0.016 -3.143 0.00 0.00 +0.137 C BRANCH 20 24 ATOM 21 C LIG 1 8.425 1.611 -1.420 0.00 0.00 +0.009 C ATOM 22 C LIG 1 7.207 1.343 -0.531 0.00 0.00 +0.000 C ATOM 23 C LIG 1 6.230 0.353 -1.192 0.00 0.00 +0.088 C ATOM 24 N LIG 1 5.548 0.952 -2.344 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 4.779 2.139 -1.964 0.00 0.00 +0.085 C ATOM 26 C LIG 1 5.686 3.203 -1.344 0.00 0.00 +0.016 C ATOM 27 C LIG 1 6.478 2.644 -0.165 0.00 0.00 +0.006 C ENDBRANCH 20 24 ENDBRANCH 7 20 ENDBRANCH 1 14 BRANCH 5 28 ATOM 28 C LIG 1 -4.971 0.461 -0.498 0.00 0.00 -0.005 A ATOM 29 C LIG 1 -5.631 1.218 0.497 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -6.533 2.235 0.162 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -6.756 2.529 -1.174 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -7.604 3.511 -1.501 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -6.107 1.824 -2.179 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -5.224 0.794 -1.843 0.00 0.00 +0.012 A BRANCH 29 35 ATOM 35 C LIG 1 -5.423 0.972 1.940 0.00 0.00 +0.247 C ATOM 36 N LIG 1 -4.170 1.214 2.436 0.00 0.00 -0.292 N ATOM 37 C LIG 1 -3.083 2.052 1.962 0.00 0.00 +0.146 C ATOM 38 C LIG 1 -2.855 2.451 3.431 0.00 0.00 +0.200 C ATOM 39 F LIG 1 -1.575 2.403 3.869 0.00 0.00 -0.242 F ATOM 40 C LIG 1 -3.757 1.273 3.829 0.00 0.00 +0.146 C ATOM 41 O LIG 1 -6.367 0.581 2.618 0.00 0.00 -0.270 OA ENDBRANCH 29 35 ENDBRANCH 5 28 BRANCH 3 42 ATOM 42 C LIG 1 -4.072 -3.968 1.684 0.00 0.00 +0.038 C ATOM 43 C LIG 1 -4.610 -3.774 3.084 0.00 0.00 +0.010 C ATOM 44 C LIG 1 -3.263 -4.399 2.886 0.00 0.00 +0.010 C ENDBRANCH 3 42 TORSDOF 7