REMARK Name = BDB060412 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.714 -1.959 3.469 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.528 -1.489 3.139 0.00 0.00 +0.121 A ATOM 3 C LIG 1 0.874 -1.270 1.805 0.00 0.00 +0.050 A ATOM 4 C LIG 1 2.156 -0.817 1.474 0.00 0.00 -0.030 A ATOM 5 C LIG 1 3.086 -0.609 2.506 0.00 0.00 +0.005 A ATOM 6 C LIG 1 2.741 -0.855 3.837 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.461 -1.304 4.154 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 2.543 -0.585 0.032 0.00 0.00 +0.116 C BRANCH 8 9 ATOM 9 N LIG 1 2.930 0.808 -0.188 0.00 0.00 -0.309 NA ATOM 10 H LIG 1 2.132 1.405 0.029 0.00 0.00 +0.123 HD BRANCH 9 11 ATOM 11 C LIG 1 3.387 1.050 -1.550 0.00 0.00 +0.054 C ATOM 12 C LIG 1 3.893 2.482 -1.715 0.00 0.00 +0.019 C ATOM 13 C LIG 1 3.970 2.659 -3.228 0.00 0.00 +0.002 C ATOM 14 C LIG 1 2.883 1.751 -3.806 0.00 0.00 +0.002 C ATOM 15 C LIG 1 2.301 0.977 -2.625 0.00 0.00 +0.019 C ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 -1.706 -0.923 3.338 0.00 0.00 +0.261 C BRANCH 16 17 ATOM 17 C LIG 1 -3.056 -1.569 2.997 0.00 0.00 +0.166 C BRANCH 17 18 ATOM 18 O LIG 1 -3.422 -2.480 4.046 0.00 0.00 -0.387 OA ATOM 19 H LIG 1 -2.615 -2.989 4.254 0.00 0.00 +0.210 HD ENDBRANCH 17 18 BRANCH 17 20 ATOM 20 C LIG 1 -3.046 -2.343 1.658 0.00 0.00 +0.119 C BRANCH 20 22 ATOM 21 C LIG 1 -2.356 -2.490 -0.642 0.00 0.00 +0.105 C ATOM 22 N LIG 1 -2.607 -1.572 0.477 0.00 0.00 -0.299 NA BRANCH 22 23 ATOM 23 C LIG 1 -3.592 -0.545 0.093 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 C LIG 1 -3.036 0.465 -0.890 0.00 0.00 -0.033 A ATOM 25 C LIG 1 -3.610 0.618 -2.160 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -3.107 1.564 -3.055 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.030 2.369 -2.689 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.450 2.227 -1.429 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.948 1.279 -0.535 0.00 0.00 +0.005 A ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 11