REMARK Name = BDB048535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.154 -0.980 -0.158 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -1.723 -0.031 0.734 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -3.116 0.051 0.786 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -3.920 -0.746 -0.039 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -3.361 -1.658 -0.946 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -1.962 -1.761 -0.990 0.00 0.00 +0.033 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -0.868 0.777 1.508 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -1.260 1.134 2.889 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -1.974 2.503 3.004 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -1.271 3.596 2.304 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -2.031 4.841 2.388 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -1.055 3.211 0.892 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -0.244 1.904 0.764 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 5 14 ATOM 14 C LIG 1 -4.214 -2.490 -1.813 0.00 0.00 -0.015 A ATOM 15 C LIG 1 -5.258 -1.930 -2.561 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -6.036 -2.754 -3.359 0.00 0.00 +0.111 A ATOM 17 N LIG 1 -5.855 -4.086 -3.466 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 -4.843 -4.614 -2.747 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -4.012 -3.871 -1.922 0.00 0.00 +0.028 A ENDBRANCH 5 14 BRANCH 1 21 ATOM 20 C LIG 1 1.083 -1.869 -0.887 0.00 0.00 +0.250 C ATOM 21 N LIG 1 0.252 -1.095 -0.112 0.00 0.00 -0.280 N ATOM 22 H LIG 1 0.653 -0.505 0.613 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 0.769 -2.656 -1.769 0.00 0.00 -0.270 OA BRANCH 20 31 ATOM 24 C LIG 1 4.327 -0.027 -0.455 0.00 0.00 +0.070 A ATOM 25 C LIG 1 5.198 -1.085 -0.164 0.00 0.00 +0.149 A ATOM 26 F LIG 1 6.493 -0.798 0.058 0.00 0.00 -0.203 F ATOM 27 C LIG 1 4.765 -2.417 -0.083 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.755 -3.497 0.253 0.00 0.00 +0.048 C ATOM 29 C LIG 1 3.402 -2.690 -0.301 0.00 0.00 +0.059 A ATOM 30 CL LIG 1 2.821 -4.314 -0.118 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 2.523 -1.640 -0.611 0.00 0.00 +0.057 A ATOM 32 C LIG 1 2.989 -0.316 -0.697 0.00 0.00 +0.040 A BRANCH 24 35 ATOM 33 C LIG 1 5.099 3.667 -0.626 0.00 0.00 +0.109 C ATOM 34 C LIG 1 4.185 2.467 -0.612 0.00 0.00 +0.214 C ATOM 35 N LIG 1 4.872 1.275 -0.487 0.00 0.00 -0.283 N ATOM 36 H LIG 1 5.875 1.324 -0.332 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 2.967 2.601 -0.670 0.00 0.00 -0.276 OA ENDBRANCH 24 35 ENDBRANCH 20 31 ENDBRANCH 1 21 TORSDOF 5