REMARK Name = BDB024140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.761 -1.324 -0.686 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.617 -2.836 -0.615 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.095 -3.571 -1.692 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.969 -4.959 -1.610 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.369 -5.630 -0.456 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.895 -4.915 0.617 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.021 -3.527 0.540 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.449 -0.553 0.076 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.116 -0.982 0.930 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.381 -0.670 -1.035 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.095 -0.338 -2.185 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 3.710 0.477 1.507 0.00 0.00 +0.130 A ATOM 13 C LIG 1 4.331 1.111 0.411 0.00 0.00 +0.027 A ATOM 14 C LIG 1 3.638 1.185 -0.807 0.00 0.00 +0.014 A ATOM 15 C LIG 1 2.356 0.644 -0.946 0.00 0.00 +0.024 A ATOM 16 C LIG 1 1.739 0.014 0.130 0.00 0.00 +0.037 A ATOM 17 C LIG 1 2.423 -0.064 1.353 0.00 0.00 +0.069 A BRANCH 13 18 ATOM 18 C LIG 1 5.670 1.681 0.501 0.00 0.00 +0.023 A ATOM 19 C LIG 1 6.076 2.849 -0.115 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.387 3.025 0.221 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.248 4.111 -0.179 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.875 2.051 1.009 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.827 1.240 1.185 0.00 0.00 +0.143 A ENDBRANCH 13 18 BRANCH 12 25 ATOM 24 C LIG 1 3.787 -0.113 3.831 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.417 0.437 2.683 0.00 0.00 -0.494 OA ENDBRANCH 12 25 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -2.764 -0.855 -1.666 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -2.400 -1.048 -2.602 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.112 -1.407 -1.522 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.872 -0.974 -0.256 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.370 0.454 -0.295 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.723 0.725 -0.542 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.188 2.042 -0.582 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.303 3.105 -0.378 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.953 2.843 -0.135 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.490 1.525 -0.093 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.780 4.456 -0.420 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -7.169 5.549 -0.449 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10