REMARK Name = BDB027030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.546 -1.739 0.506 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.311 -3.199 0.881 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.907 -3.559 2.178 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.707 -4.898 2.514 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.920 -5.896 1.565 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.339 -5.556 0.280 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.539 -4.217 -0.060 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 0.255 -0.221 1.922 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 0.307 -0.867 0.872 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -0.821 -0.825 -0.076 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -1.994 0.002 0.017 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -2.803 -0.278 -1.083 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -4.036 0.355 -1.310 0.00 0.00 +0.052 A ATOM 14 C LIG 1 -4.470 1.318 -0.381 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -3.673 1.617 0.732 0.00 0.00 +0.027 A ATOM 16 N LIG 1 -2.160 -1.242 -1.821 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -2.523 -1.648 -2.673 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -2.446 0.969 0.936 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -0.968 -1.573 -1.232 0.00 0.00 +0.095 A BRANCH 14 20 ATOM 20 N LIG 1 -5.717 1.986 -0.573 0.00 0.00 -0.306 N ATOM 21 C LIG 1 -6.289 2.950 0.233 0.00 0.00 +0.204 A ATOM 22 N LIG 1 -7.450 3.373 -0.219 0.00 0.00 -0.244 NA ATOM 23 C LIG 1 -7.660 2.667 -1.365 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -6.614 1.809 -1.608 0.00 0.00 +0.112 A ENDBRANCH 14 20 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 25 ATOM 25 N LIG 1 2.785 -1.256 1.175 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 3.422 -2.049 1.261 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.481 -0.190 0.444 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 2.780 1.175 0.461 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 3.631 2.240 -0.193 0.00 0.00 -0.046 A ATOM 30 C LIG 1 3.510 2.503 -1.566 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.311 3.474 -2.170 0.00 0.00 +0.038 A ATOM 32 C LIG 1 5.232 4.177 -1.403 0.00 0.00 +0.123 A ATOM 33 F LIG 1 6.001 5.107 -1.985 0.00 0.00 -0.205 F ATOM 34 C LIG 1 5.369 3.929 -0.043 0.00 0.00 +0.038 A ATOM 35 C LIG 1 4.570 2.959 0.563 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8