REMARK Name = BDB027442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.444 1.376 -0.800 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.238 0.272 -0.449 0.00 0.00 -0.004 A ATOM 3 C LIG 1 -2.626 0.467 -0.312 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -3.206 1.717 -0.542 0.00 0.00 +0.045 A ATOM 5 N LIG 1 -2.444 2.777 -0.898 0.00 0.00 -0.258 NA ATOM 6 C LIG 1 -1.109 2.589 -1.009 0.00 0.00 +0.134 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.204 1.688 0.133 0.00 0.00 +0.075 C ATOM 8 C LIG 1 1.689 2.093 0.055 0.00 0.00 +0.133 C ATOM 9 N LIG 1 0.960 1.230 -0.911 0.00 0.00 -0.326 N ATOM 10 C LIG 1 1.419 1.390 -2.313 0.00 0.00 +0.105 C ATOM 11 C LIG 1 2.916 1.717 -2.392 0.00 0.00 +0.021 C ATOM 12 C LIG 1 3.689 1.107 -1.225 0.00 0.00 +0.031 C BRANCH 7 16 ATOM 13 C LIG 1 4.853 0.964 4.699 0.00 0.00 +0.065 C ATOM 14 C LIG 1 4.194 0.385 3.482 0.00 0.00 +0.039 A ATOM 15 N LIG 1 4.015 1.207 2.420 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 3.416 0.706 1.300 0.00 0.00 +0.063 A ATOM 17 C LIG 1 2.974 -0.615 1.240 0.00 0.00 +0.025 A ATOM 18 C LIG 1 3.165 -1.446 2.339 0.00 0.00 +0.004 A ATOM 19 C LIG 1 3.783 -0.943 3.477 0.00 0.00 +0.023 A ENDBRANCH 7 16 BRANCH 7 20 ATOM 20 N LIG 1 3.993 2.938 0.373 0.00 0.00 -0.319 NA ATOM 21 H LIG 1 4.973 2.653 0.454 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 3.778 3.218 1.337 0.00 0.00 +0.119 HD ENDBRANCH 7 20 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 C LIG 1 -4.698 1.905 -0.413 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -5.255 3.140 0.258 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -5.356 1.811 0.945 0.00 0.00 +0.010 C ENDBRANCH 4 23 BRANCH 2 26 ATOM 26 C LIG 1 -0.570 -1.050 -0.155 0.00 0.00 +0.160 C BRANCH 26 27 ATOM 27 N LIG 1 -1.461 -2.203 -0.175 0.00 0.00 -0.325 N ATOM 28 C LIG 1 -1.950 -2.847 -1.286 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -2.707 -3.897 -0.767 0.00 0.00 +0.128 A ATOM 30 C LIG 1 -3.377 -4.772 -1.654 0.00 0.00 +0.144 A ATOM 31 N LIG 1 -3.243 -4.586 -2.992 0.00 0.00 -0.238 NA ATOM 32 C LIG 1 -2.500 -3.548 -3.449 0.00 0.00 +0.115 A ATOM 33 N LIG 1 -2.654 -3.900 0.617 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 -1.823 -2.630 -2.657 0.00 0.00 +0.048 A ATOM 35 C LIG 1 -1.896 -2.875 0.935 0.00 0.00 +0.200 A BRANCH 30 36 ATOM 36 N LIG 1 -4.149 -5.843 -1.220 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -4.218 -6.555 -1.935 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -3.907 -6.138 -0.280 0.00 0.00 +0.144 HD ENDBRANCH 30 36 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 7