REMARK Name = BDB001710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.541 -2.009 -0.165 0.00 0.00 +0.129 A ATOM 2 O LIG 1 1.125 -0.768 -0.034 0.00 0.00 -0.455 OA ATOM 3 C LIG 1 2.481 -0.912 -0.036 0.00 0.00 +0.138 A ATOM 4 C LIG 1 2.797 -2.243 -0.185 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.567 -2.939 -0.265 0.00 0.00 +0.050 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 3.241 0.327 0.104 0.00 0.00 +0.047 A ATOM 7 C LIG 1 4.455 0.433 0.799 0.00 0.00 +0.137 A ATOM 8 C LIG 1 5.176 1.634 0.887 0.00 0.00 +0.033 A ATOM 9 C LIG 1 4.671 2.775 0.268 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.463 2.708 -0.422 0.00 0.00 +0.001 A ATOM 11 C LIG 1 2.757 1.500 -0.503 0.00 0.00 +0.014 A BRANCH 7 12 ATOM 12 N LIG 1 5.006 -0.707 1.495 0.00 0.00 +0.057 N ATOM 13 O LIG 1 5.961 -1.282 0.956 0.00 0.00 -0.126 OA ATOM 14 O LIG 1 4.500 -1.004 2.585 0.00 0.00 -0.126 OA ENDBRANCH 7 12 ENDBRANCH 3 6 BRANCH 1 16 ATOM 15 C LIG 1 -1.723 -1.220 -0.022 0.00 0.00 +0.055 C ATOM 16 C LIG 1 -0.862 -2.233 -0.191 0.00 0.00 +0.050 C BRANCH 15 18 ATOM 17 O LIG 1 -3.623 -2.642 -0.053 0.00 0.00 -0.287 OA ATOM 18 C LIG 1 -3.184 -1.496 -0.044 0.00 0.00 +0.186 C BRANCH 18 19 ATOM 19 C LIG 1 -4.118 -0.339 -0.018 0.00 0.00 +0.022 A ATOM 20 C LIG 1 -3.787 0.910 -0.560 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -4.709 1.959 -0.514 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.963 1.765 0.064 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.305 0.520 0.590 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -5.387 -0.531 0.545 0.00 0.00 +0.012 A ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 1 16 TORSDOF 5