REMARK Name = BDB055018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.205 -0.326 1.791 0.00 0.00 +0.016 A ATOM 2 C LIG 1 2.458 -1.505 1.752 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.183 -1.522 1.173 0.00 0.00 +0.024 A ATOM 4 C LIG 1 0.633 -0.359 0.633 0.00 0.00 +0.033 A ATOM 5 C LIG 1 1.377 0.826 0.692 0.00 0.00 +0.024 A ATOM 6 C LIG 1 2.653 0.843 1.267 0.00 0.00 +0.017 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -0.634 -0.295 0.017 0.00 0.00 -0.284 N ATOM 8 H LIG 1 -0.918 0.617 -0.309 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.512 -1.346 -0.217 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -1.330 -2.522 0.096 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 -2.794 -0.898 -0.945 0.00 0.00 +0.180 C BRANCH 11 12 ATOM 12 N LIG 1 -3.976 -1.084 -0.094 0.00 0.00 -0.292 NA ATOM 13 C LIG 1 -5.231 -0.839 -0.805 0.00 0.00 +0.107 C ATOM 14 C LIG 1 -6.277 -0.687 0.313 0.00 0.00 +0.088 C ATOM 15 C LIG 1 -5.449 -0.367 1.566 0.00 0.00 +0.039 C ATOM 16 C LIG 1 -4.023 -0.198 1.067 0.00 0.00 +0.087 C BRANCH 14 17 ATOM 17 N LIG 1 -7.272 0.336 0.012 0.00 0.00 -0.311 N ATOM 18 H LIG 1 -7.322 0.692 -0.933 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -8.384 0.507 0.811 0.00 0.00 +0.216 C ATOM 20 O LIG 1 -8.561 -0.117 1.852 0.00 0.00 -0.276 OA BRANCH 19 21 ATOM 21 C LIG 1 -9.373 1.536 0.270 0.00 0.00 +0.069 C ATOM 22 C LIG 1 -10.643 1.573 1.119 0.00 0.00 +0.017 C ATOM 23 C LIG 1 -8.735 2.924 0.211 0.00 0.00 +0.017 C ENDBRANCH 19 21 ENDBRANCH 14 17 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 S LIG 1 4.834 -0.297 2.509 0.00 0.00 -0.048 S BRANCH 24 31 ATOM 25 C LIG 1 6.879 -1.166 -0.685 0.00 0.00 +0.153 A ATOM 26 C LIG 1 6.963 -2.597 -0.565 0.00 0.00 +0.105 A ATOM 27 N LIG 1 6.391 -3.185 0.522 0.00 0.00 -0.234 N ATOM 28 C LIG 1 6.582 -4.538 0.458 0.00 0.00 +0.113 A ATOM 29 C LIG 1 7.284 -4.822 -0.693 0.00 0.00 +0.022 A ATOM 30 N LIG 1 5.740 -2.533 1.489 0.00 0.00 -0.139 NA ATOM 31 C LIG 1 5.692 -1.254 1.303 0.00 0.00 +0.214 A ATOM 32 C LIG 1 7.528 -3.587 -1.346 0.00 0.00 +0.033 A ATOM 33 N LIG 1 6.242 -0.548 0.263 0.00 0.00 -0.203 NA BRANCH 25 34 ATOM 34 N LIG 1 7.460 -0.536 -1.762 0.00 0.00 -0.281 N ATOM 35 H LIG 1 7.958 -1.114 -2.424 0.00 0.00 +0.155 HD BRANCH 34 41 ATOM 36 C LIG 1 7.129 4.436 -1.597 0.00 0.00 +0.065 C ATOM 37 C LIG 1 7.380 3.007 -1.882 0.00 0.00 +0.035 A ATOM 38 N LIG 1 8.131 2.589 -2.940 0.00 0.00 -0.280 N ATOM 39 H LIG 1 8.596 3.156 -3.640 0.00 0.00 +0.189 HD ATOM 40 N LIG 1 8.242 1.257 -3.029 0.00 0.00 -0.158 NA ATOM 41 C LIG 1 7.550 0.789 -1.985 0.00 0.00 +0.146 A ATOM 42 C LIG 1 6.986 1.853 -1.244 0.00 0.00 +0.068 A ENDBRANCH 34 41 ENDBRANCH 25 34 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 9