REMARK Name = BDB036770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.059 0.383 0.175 0.00 0.00 +0.235 C ATOM 2 C LIG 1 -1.386 0.378 -0.366 0.00 0.00 +0.179 C ATOM 3 C LIG 1 -2.453 0.659 0.713 0.00 0.00 +0.171 C ATOM 4 C LIG 1 -1.981 0.334 2.137 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -0.857 -0.706 2.169 0.00 0.00 +0.175 C ATOM 6 O LIG 1 0.278 -0.224 1.458 0.00 0.00 -0.357 OA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.734 0.040 0.381 0.00 0.00 -0.243 N ATOM 8 N LIG 1 -3.805 -1.202 -0.132 0.00 0.00 -0.065 NA ATOM 9 N LIG 1 -5.083 -1.469 -0.359 0.00 0.00 -0.129 NA ATOM 10 C LIG 1 -5.827 -0.378 0.016 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -4.977 0.602 0.477 0.00 0.00 +0.139 A BRANCH 10 12 ATOM 12 C LIG 1 -7.275 -0.316 -0.084 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -8.005 0.780 0.394 0.00 0.00 +0.048 A ATOM 14 C LIG 1 -9.392 0.797 0.277 0.00 0.00 +0.124 A ATOM 15 F LIG 1 -10.076 1.853 0.737 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -10.081 -0.259 -0.307 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -9.370 -1.357 -0.784 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -7.976 -1.384 -0.672 0.00 0.00 +0.010 A ENDBRANCH 10 12 ENDBRANCH 3 7 BRANCH 1 21 ATOM 19 C LIG 1 1.869 1.718 -1.758 0.00 0.00 +0.132 C ATOM 20 N LIG 1 1.652 0.280 -1.802 0.00 0.00 -0.301 N ATOM 21 C LIG 1 0.937 -0.408 -0.823 0.00 0.00 +0.247 C ATOM 22 O LIG 1 0.968 -1.645 -0.762 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 2.602 -0.501 -2.606 0.00 0.00 +0.126 C BRANCH 23 24 ATOM 24 C LIG 1 3.950 -0.757 -1.898 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 N LIG 1 4.767 0.479 -1.815 0.00 0.00 -0.331 N ATOM 26 C LIG 1 5.487 0.827 -3.049 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.633 0.577 -0.700 0.00 0.00 +0.033 A ATOM 28 C LIG 1 6.200 -0.537 -0.061 0.00 0.00 +0.072 A ATOM 29 C LIG 1 7.039 -0.326 1.016 0.00 0.00 +0.168 A ATOM 30 O LIG 1 7.665 -1.297 1.735 0.00 0.00 -0.453 OA ATOM 31 C LIG 1 8.367 -0.501 2.712 0.00 0.00 +0.466 C ATOM 32 O LIG 1 8.178 0.919 2.538 0.00 0.00 -0.453 OA ATOM 33 C LIG 1 7.333 0.935 1.473 0.00 0.00 +0.166 A ATOM 34 C LIG 1 6.807 2.057 0.879 0.00 0.00 +0.051 A ATOM 35 C LIG 1 5.954 1.869 -0.214 0.00 0.00 +0.027 A ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 21 BRANCH 2 36 ATOM 36 O LIG 1 -1.519 1.370 -1.404 0.00 0.00 -0.387 OA ATOM 37 H LIG 1 -2.239 1.073 -1.994 0.00 0.00 +0.210 HD ENDBRANCH 2 36 BRANCH 4 38 ATOM 38 O LIG 1 -3.050 0.040 3.035 0.00 0.00 -0.387 OA ATOM 39 H LIG 1 -3.174 -0.938 3.020 0.00 0.00 +0.210 HD ENDBRANCH 4 38 BRANCH 5 40 ATOM 40 C LIG 1 -1.251 -2.128 1.750 0.00 0.00 +0.190 C BRANCH 40 41 ATOM 41 O LIG 1 -2.453 -2.516 2.412 0.00 0.00 -0.392 OA ATOM 42 H LIG 1 -2.795 -3.292 1.926 0.00 0.00 +0.210 HD ENDBRANCH 40 41 ENDBRANCH 5 40 TORSDOF 11