REMARK Name = BDB024304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.625 -1.571 0.643 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.668 -0.489 -0.424 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.911 0.860 -0.126 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.946 1.817 -1.142 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.746 1.443 -2.468 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.520 0.106 -2.785 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.487 -0.853 -1.772 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.897 -0.470 2.393 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.909 -0.148 3.354 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.258 -1.114 2.080 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.019 -1.355 3.031 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.509 0.750 0.718 0.00 0.00 +0.003 A ATOM 13 C LIG 1 4.031 1.105 1.972 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.850 0.684 2.492 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 2.072 -0.121 1.739 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.476 -0.551 0.488 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.699 -0.104 -0.028 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 8.763 1.215 -1.805 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.661 1.432 -0.900 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.674 2.501 -0.086 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.532 2.389 0.596 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.780 1.248 0.226 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.551 0.650 -0.751 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.858 -2.422 0.650 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -1.737 -3.049 1.452 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.115 -1.692 0.891 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.874 -1.367 -0.406 0.00 0.00 +0.051 C BRANCH 27 28 ATOM 28 C LIG 1 -5.323 -0.995 -0.145 0.00 0.00 -0.029 A ATOM 29 C LIG 1 -5.719 0.294 0.267 0.00 0.00 +0.056 A ATOM 30 C LIG 1 -7.075 0.569 0.501 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -8.031 -0.429 0.332 0.00 0.00 +0.042 A ATOM 32 CL LIG 1 -9.690 -0.081 0.623 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -7.653 -1.707 -0.067 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -6.306 -1.988 -0.303 0.00 0.00 +0.006 A BRANCH 29 35 ATOM 35 C LIG 1 -4.775 1.359 0.466 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.037 2.235 0.649 0.00 0.00 -0.191 NA ENDBRANCH 29 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9