REMARK Name = BDB000151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.101 -1.192 -1.445 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.978 -1.985 -1.512 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.023 -2.214 -0.469 0.00 0.00 +0.162 C ATOM 4 C LIG 1 0.826 -3.400 -1.007 0.00 0.00 +0.033 C ATOM 5 C LIG 1 0.808 -3.166 -2.515 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -0.582 -2.601 -2.767 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -2.781 -0.960 -2.452 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.937 -0.982 -0.260 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.833 -1.117 0.783 0.00 0.00 -0.313 N ATOM 10 H LIG 1 1.824 -1.948 1.359 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.872 0.031 -0.951 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 2.743 -0.043 1.142 0.00 0.00 +0.109 C BRANCH 12 13 ATOM 13 C LIG 1 3.950 0.029 0.203 0.00 0.00 +0.054 C BRANCH 13 14 ATOM 14 C LIG 1 4.913 1.113 0.617 0.00 0.00 -0.046 A ATOM 15 C LIG 1 4.693 2.440 0.223 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.570 3.450 0.620 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.673 3.143 1.415 0.00 0.00 +0.000 A ATOM 18 C LIG 1 6.899 1.827 1.815 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.022 0.816 1.419 0.00 0.00 +0.004 A ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 20 ATOM 20 C LIG 1 -2.517 -0.595 -0.080 0.00 0.00 +0.162 C BRANCH 20 21 ATOM 21 N LIG 1 -2.923 0.785 -0.338 0.00 0.00 -0.302 N ATOM 22 H LIG 1 -3.133 1.027 -1.303 0.00 0.00 +0.150 HD ATOM 23 C LIG 1 -2.805 1.777 0.611 0.00 0.00 +0.230 C ATOM 24 O LIG 1 -2.424 1.559 1.757 0.00 0.00 -0.274 OA BRANCH 23 25 ATOM 25 C LIG 1 -3.240 3.164 0.093 0.00 0.00 +0.135 C ATOM 26 C LIG 1 -2.939 4.262 1.105 0.00 0.00 +0.033 C BRANCH 25 27 ATOM 27 N LIG 1 -4.689 3.145 -0.200 0.00 0.00 -0.320 NA ATOM 28 H LIG 1 -4.901 2.334 -0.781 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 -5.192 2.990 0.675 0.00 0.00 +0.119 HD ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 20 21 BRANCH 20 31 ATOM 30 C LIG 1 -3.200 -2.761 1.095 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -3.656 -1.384 0.613 0.00 0.00 +0.012 C ATOM 32 C LIG 1 -4.915 -1.529 -0.249 0.00 0.00 +0.009 C ENDBRANCH 20 31 ENDBRANCH 1 20 TORSDOF 9