REMARK Name = BDB050776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.010 -1.231 0.785 0.00 0.00 +0.031 A ATOM 2 C LIG 1 -0.486 -0.239 -0.048 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.897 -0.056 -0.162 0.00 0.00 +0.013 A ATOM 4 C LIG 1 1.797 -0.841 0.572 0.00 0.00 +0.017 A ATOM 5 C LIG 1 1.272 -1.811 1.434 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -0.114 -1.994 1.544 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.239 -0.607 0.418 0.00 0.00 +0.139 A ATOM 8 N LIG 1 4.225 -1.369 0.999 0.00 0.00 -0.338 N ATOM 9 H LIG 1 4.076 -2.171 1.590 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 5.451 -0.864 0.644 0.00 0.00 +0.067 A ATOM 11 C LIG 1 5.155 0.209 -0.191 0.00 0.00 +0.102 A ATOM 12 C LIG 1 6.220 0.949 -0.736 0.00 0.00 +0.064 A ATOM 13 C LIG 1 7.541 0.582 -0.416 0.00 0.00 +0.015 A ATOM 14 C LIG 1 7.797 -0.501 0.427 0.00 0.00 +0.003 A ATOM 15 C LIG 1 6.752 -1.252 0.976 0.00 0.00 +0.028 A ATOM 16 N LIG 1 3.790 0.356 -0.298 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 5.961 2.081 -1.645 0.00 0.00 +0.244 C ATOM 18 O LIG 1 5.166 2.027 -2.571 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 6.689 3.218 -1.404 0.00 0.00 -0.325 N ATOM 20 H LIG 1 7.127 3.373 -0.507 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 6.401 4.032 -1.932 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 -2.401 -1.413 0.985 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -2.604 -2.391 1.176 0.00 0.00 +0.152 HD BRANCH 22 37 ATOM 24 C LIG 1 -3.567 3.265 3.055 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -4.031 2.481 1.865 0.00 0.00 -0.050 A ATOM 26 C LIG 1 -3.502 1.214 1.597 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -3.940 0.443 0.491 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -4.945 0.960 -0.342 0.00 0.00 +0.073 A ATOM 29 N LIG 1 -5.426 0.297 -1.404 0.00 0.00 -0.247 NA ATOM 30 C LIG 1 -4.927 -0.907 -1.715 0.00 0.00 +0.073 A ATOM 31 C LIG 1 -3.915 -1.537 -0.968 0.00 0.00 +0.022 A ATOM 32 C LIG 1 -3.439 -2.802 -1.399 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -3.965 -3.429 -2.527 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.972 -2.803 -3.246 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -5.438 -1.553 -2.834 0.00 0.00 +0.028 A ATOM 36 C LIG 1 -5.474 2.211 -0.055 0.00 0.00 +0.028 A ATOM 37 C LIG 1 -3.433 -0.844 0.173 0.00 0.00 +0.050 A ATOM 38 C LIG 1 -5.035 2.971 1.033 0.00 0.00 +0.005 A ENDBRANCH 22 37 ENDBRANCH 1 22 TORSDOF 4