REMARK Name = BDB041435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.429 -0.558 1.527 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.073 -1.602 2.343 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.264 -2.267 2.036 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -1.572 -3.283 3.002 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.634 -3.372 4.002 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.973 -1.874 0.875 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -1.515 -0.840 0.037 0.00 0.00 -0.039 A ATOM 8 S LIG 1 0.621 -2.242 3.795 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -0.320 -0.207 0.379 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 1.721 0.188 1.821 0.00 0.00 +0.121 C BRANCH 10 13 ATOM 11 C LIG 1 4.483 -1.290 -0.372 0.00 0.00 +0.007 C ATOM 12 C LIG 1 3.058 -0.910 0.089 0.00 0.00 +0.089 C ATOM 13 N LIG 1 2.927 -0.606 1.521 0.00 0.00 -0.292 NA ATOM 14 C LIG 1 4.115 -0.010 2.146 0.00 0.00 +0.140 C ATOM 15 C LIG 1 4.649 1.236 1.479 0.00 0.00 +0.062 A ATOM 16 C LIG 1 5.226 1.196 0.206 0.00 0.00 -0.024 A ATOM 17 C LIG 1 5.723 2.404 -0.308 0.00 0.00 +0.010 A ATOM 18 C LIG 1 5.609 3.583 0.421 0.00 0.00 +0.067 A ATOM 19 C LIG 1 5.001 3.516 1.657 0.00 0.00 +0.213 A ATOM 20 N LIG 1 4.525 2.386 2.196 0.00 0.00 -0.216 NA ATOM 21 C LIG 1 5.370 -0.048 -0.640 0.00 0.00 +0.041 C BRANCH 11 23 ATOM 22 C LIG 1 5.739 -2.697 -2.119 0.00 0.00 +0.004 C ATOM 23 C LIG 1 4.391 -2.174 -1.640 0.00 0.00 +0.002 C ENDBRANCH 11 23 BRANCH 19 24 ATOM 24 O LIG 1 4.846 4.627 2.430 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 5.218 5.380 1.950 0.00 0.00 +0.294 HD ENDBRANCH 19 24 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 -2.345 -0.492 -1.205 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.776 -0.025 -0.879 0.00 0.00 -0.034 A ATOM 28 C LIG 1 -4.904 -0.521 -1.595 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -4.773 -1.550 -2.684 0.00 0.00 +0.046 C ATOM 30 C LIG 1 -6.176 -0.022 -1.232 0.00 0.00 +0.116 A ATOM 31 N LIG 1 -7.418 -0.321 -1.736 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 -8.319 0.395 -1.079 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 -7.658 1.135 -0.171 0.00 0.00 -0.247 N ATOM 34 C LIG 1 -8.400 2.011 0.696 0.00 0.00 +0.175 C ATOM 35 C LIG 1 -6.308 0.919 -0.219 0.00 0.00 +0.089 A ATOM 36 C LIG 1 -5.223 1.426 0.493 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -3.963 0.936 0.140 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 -1.689 0.390 -2.286 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 -1.752 1.872 -2.027 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -1.311 2.473 -1.062 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -2.345 2.547 -3.032 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -2.336 3.480 -2.734 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 7 26 TORSDOF 9