REMARK Name = BDB027460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.277 -0.747 -0.366 0.00 0.00 +0.053 A ATOM 2 C LIG 1 0.834 -0.095 -0.919 0.00 0.00 -0.003 A ATOM 3 C LIG 1 1.960 -0.855 -1.297 0.00 0.00 +0.035 A ATOM 4 C LIG 1 1.970 -2.237 -1.122 0.00 0.00 +0.071 A ATOM 5 N LIG 1 0.903 -2.880 -0.598 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.173 -2.136 -0.246 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.133 -3.088 -1.448 0.00 0.00 +0.003 A ATOM 8 C LIG 1 3.388 -4.256 -0.704 0.00 0.00 +0.051 A ATOM 9 C LIG 1 4.493 -5.057 -0.982 0.00 0.00 +0.159 A ATOM 10 F LIG 1 4.706 -6.159 -0.252 0.00 0.00 -0.202 F ATOM 11 C LIG 1 5.365 -4.721 -2.007 0.00 0.00 +0.158 A ATOM 12 F LIG 1 6.431 -5.490 -2.274 0.00 0.00 -0.202 F ATOM 13 C LIG 1 5.136 -3.587 -2.773 0.00 0.00 +0.042 A ATOM 14 C LIG 1 4.027 -2.777 -2.496 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 -3.564 -0.517 1.334 0.00 0.00 +0.078 C ATOM 16 C LIG 1 -2.008 -0.296 1.340 0.00 0.00 +0.133 C ATOM 17 N LIG 1 -1.419 -0.026 0.001 0.00 0.00 -0.326 N ATOM 18 C LIG 1 -2.362 0.204 -1.103 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -3.402 -0.909 -1.210 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -3.910 -1.432 0.141 0.00 0.00 +0.031 C BRANCH 15 25 ATOM 21 C LIG 1 -6.912 3.228 0.888 0.00 0.00 +0.174 C ATOM 22 N LIG 1 -5.769 2.394 1.147 0.00 0.00 -0.254 N ATOM 23 N LIG 1 -4.712 2.889 1.806 0.00 0.00 -0.066 NA ATOM 24 N LIG 1 -3.828 1.911 1.930 0.00 0.00 -0.133 NA ATOM 25 C LIG 1 -4.333 0.785 1.320 0.00 0.00 +0.104 A ATOM 26 C LIG 1 -5.583 1.088 0.818 0.00 0.00 +0.135 A ENDBRANCH 15 25 BRANCH 15 27 ATOM 27 N LIG 1 -4.008 -1.215 2.564 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 -3.823 -0.607 3.365 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 -3.450 -2.054 2.712 0.00 0.00 +0.119 HD ENDBRANCH 15 27 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 0.891 1.407 -1.065 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 1.707 2.006 -0.031 0.00 0.00 -0.310 N ATOM 32 C LIG 1 3.004 2.419 -0.165 0.00 0.00 +0.166 A ATOM 33 C LIG 1 3.333 2.957 1.070 0.00 0.00 +0.147 A ATOM 34 C LIG 1 4.636 3.465 1.207 0.00 0.00 +0.147 A ATOM 35 N LIG 1 5.476 3.383 0.150 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 5.013 2.840 -0.997 0.00 0.00 +0.225 A ATOM 37 N LIG 1 2.265 2.870 1.946 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 3.791 2.326 -1.250 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 1.302 2.306 1.245 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 5.115 4.030 2.382 0.00 0.00 -0.341 N ATOM 41 H LIG 1 6.125 4.000 2.430 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 4.595 3.743 3.206 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 7