REMARK Name = BDB019110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.947 2.417 0.515 0.00 0.00 +0.166 A ATOM 2 C LIG 1 -0.378 1.288 -0.036 0.00 0.00 +0.096 A ATOM 3 N LIG 1 0.983 1.527 -0.015 0.00 0.00 -0.269 N ATOM 4 C LIG 1 1.939 0.607 -0.496 0.00 0.00 +0.202 A ATOM 5 N LIG 1 1.532 -0.541 -0.968 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 0.176 -0.794 -0.996 0.00 0.00 +0.125 A ATOM 7 C LIG 1 1.162 2.761 0.557 0.00 0.00 +0.208 A ATOM 8 C LIG 1 -0.798 0.038 -0.566 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.019 3.330 0.875 0.00 0.00 -0.224 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.194 -0.406 -0.689 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -2.711 -1.424 0.102 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -3.995 -1.856 0.051 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -4.845 -1.249 -0.804 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -4.391 -0.239 -1.656 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -3.063 0.187 -1.599 0.00 0.00 +0.013 A BRANCH 13 16 ATOM 16 N LIG 1 -6.187 -1.656 -0.864 0.00 0.00 -0.311 N ATOM 17 C LIG 1 -6.498 -2.885 -0.099 0.00 0.00 +0.134 C ATOM 18 C LIG 1 -6.713 -2.594 1.397 0.00 0.00 +0.178 C ATOM 19 O LIG 1 -7.712 -1.578 1.599 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 -7.319 -0.362 0.939 0.00 0.00 +0.178 C ATOM 21 C LIG 1 -7.165 -0.581 -0.576 0.00 0.00 +0.134 C ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 -3.469 2.905 0.879 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 -2.336 2.695 0.727 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 4 24 ATOM 24 N LIG 1 3.276 0.943 -0.446 0.00 0.00 -0.310 N ATOM 25 H LIG 1 3.509 1.930 -0.459 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 4.273 0.128 -1.121 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 5.644 0.574 -0.704 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.166 0.294 0.556 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.550 -0.402 1.712 0.00 0.00 +0.080 C ATOM 30 C LIG 1 6.795 -0.584 2.581 0.00 0.00 +0.234 C ATOM 31 O LIG 1 7.781 0.404 2.205 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 7.425 0.748 0.927 0.00 0.00 +0.124 A ATOM 33 C LIG 1 8.218 1.495 0.080 0.00 0.00 +0.049 A ATOM 34 C LIG 1 7.719 1.784 -1.190 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.449 1.327 -1.568 0.00 0.00 +0.129 A ATOM 36 F LIG 1 5.994 1.645 -2.789 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 4 24 TORSDOF 6