REMARK Name = BDB051752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.631 -1.054 -0.184 0.00 0.00 +0.095 A ATOM 2 C LIG 1 -1.542 -2.086 -0.381 0.00 0.00 +0.087 A ATOM 3 S LIG 1 -0.802 -3.604 -0.522 0.00 0.00 -0.080 S ATOM 4 C LIG 1 0.755 -2.939 -0.343 0.00 0.00 +0.056 A ATOM 5 C LIG 1 0.721 -1.569 -0.172 0.00 0.00 +0.005 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 1.969 -0.838 -0.029 0.00 0.00 -0.016 A ATOM 7 C LIG 1 2.628 -0.806 1.202 0.00 0.00 +0.009 A ATOM 8 C LIG 1 3.822 -0.091 1.339 0.00 0.00 +0.009 A ATOM 9 C LIG 1 4.380 0.604 0.253 0.00 0.00 -0.018 A ATOM 10 C LIG 1 3.706 0.557 -0.979 0.00 0.00 +0.009 A ATOM 11 C LIG 1 2.511 -0.157 -1.121 0.00 0.00 +0.009 A BRANCH 9 12 ATOM 12 C LIG 1 5.635 1.360 0.401 0.00 0.00 -0.018 A ATOM 13 C LIG 1 5.783 2.327 1.409 0.00 0.00 +0.008 A ATOM 14 C LIG 1 6.974 3.046 1.550 0.00 0.00 +0.001 A ATOM 15 C LIG 1 8.038 2.808 0.684 0.00 0.00 +0.000 A ATOM 16 C LIG 1 7.913 1.854 -0.322 0.00 0.00 +0.001 A ATOM 17 C LIG 1 6.721 1.137 -0.462 0.00 0.00 +0.008 A ENDBRANCH 9 12 ENDBRANCH 5 6 BRANCH 2 18 ATOM 18 N LIG 1 -2.921 -1.939 -0.442 0.00 0.00 -0.275 N ATOM 19 H LIG 1 -3.230 -0.976 -0.340 0.00 0.00 +0.156 HD ATOM 20 C LIG 1 -3.868 -2.924 -0.629 0.00 0.00 +0.249 C ATOM 21 O LIG 1 -3.692 -4.106 -0.894 0.00 0.00 -0.270 OA BRANCH 20 22 ATOM 22 C LIG 1 -5.271 -2.433 -0.600 0.00 0.00 +0.051 A ATOM 23 C LIG 1 -5.784 -1.607 0.408 0.00 0.00 +0.071 A ATOM 24 C LIG 1 -7.113 -1.159 0.350 0.00 0.00 +0.016 A ATOM 25 C LIG 1 -7.928 -1.534 -0.718 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -7.426 -2.365 -1.719 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.107 -2.818 -1.659 0.00 0.00 +0.014 A BRANCH 23 28 ATOM 28 C LIG 1 -4.984 -1.245 1.590 0.00 0.00 +0.338 C ATOM 29 O LIG 1 -4.504 -2.058 2.355 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 -4.826 0.090 1.702 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 -5.185 0.625 0.968 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 20 22 ENDBRANCH 2 18 BRANCH 1 32 ATOM 32 C LIG 1 -1.071 0.335 -0.020 0.00 0.00 +0.342 C ATOM 33 O LIG 1 -2.235 0.686 -0.210 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 -0.075 1.179 0.364 0.00 0.00 -0.461 OA BRANCH 34 36 ATOM 35 C LIG 1 -0.312 3.302 -0.766 0.00 0.00 +0.048 C ATOM 36 C LIG 1 -0.431 2.555 0.549 0.00 0.00 +0.229 C ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 1 32 TORSDOF 9