REMARK Name = BDB044823 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.590 -2.301 -1.357 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.990 -2.122 -2.618 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.637 -1.766 -2.675 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.848 -1.591 -1.546 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.442 -1.233 -2.048 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.448 -1.196 -3.390 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.435 -1.788 -0.284 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.808 -1.520 -3.733 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.039 -1.555 -4.719 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.790 -2.146 -0.212 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.973 1.789 0.436 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.993 0.627 -0.350 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.803 -0.436 0.021 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.069 -1.790 -0.572 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.045 -2.692 -1.230 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.110 -2.392 0.344 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.354 -1.469 1.345 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.019 -1.631 2.084 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.623 -3.490 0.205 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -6.112 -2.005 -2.058 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.597 -0.309 1.169 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.606 0.817 1.965 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.777 1.878 1.588 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.035 3.956 0.746 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.133 2.766 -0.027 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.586 -0.949 -1.230 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.801 -0.616 -1.700 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.966 -0.339 -0.851 0.00 0.00 -0.025 A ATOM 29 C LIG 1 5.226 -0.784 -1.265 0.00 0.00 +0.008 A ATOM 30 C LIG 1 6.366 -0.520 -0.498 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.268 0.211 0.693 0.00 0.00 -0.033 A ATOM 32 C LIG 1 5.007 0.667 1.101 0.00 0.00 +0.005 A ATOM 33 C LIG 1 3.869 0.402 0.333 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 7.497 0.484 1.535 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 7.719 1.916 1.807 0.00 0.00 -0.304 NA ATOM 36 C LIG 1 8.767 2.076 2.817 0.00 0.00 +0.104 C ATOM 37 C LIG 1 8.089 2.640 0.588 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6