REMARK Name = BDB026970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.189 -0.617 -0.354 0.00 0.00 +0.186 C ATOM 2 O LIG 1 1.394 0.383 0.343 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -4.101 0.426 0.065 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -3.807 -0.766 -0.624 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.464 -1.136 -0.793 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.402 -0.376 -0.307 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.183 -1.050 -0.661 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.557 -2.194 -1.345 0.00 0.00 +0.095 A ATOM 9 C LIG 1 -1.704 0.816 0.382 0.00 0.00 +0.011 A ATOM 10 N LIG 1 -1.925 -2.238 -1.410 0.00 0.00 -0.360 N ATOM 11 H LIG 1 -2.466 -2.973 -1.845 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 -3.041 1.199 0.560 0.00 0.00 +0.009 A BRANCH 3 17 ATOM 13 C LIG 1 -9.578 2.042 0.688 0.00 0.00 +0.065 C ATOM 14 C LIG 1 -8.143 1.626 0.557 0.00 0.00 +0.038 A ATOM 15 N LIG 1 -7.693 1.329 -0.682 0.00 0.00 -0.260 NA ATOM 16 C LIG 1 -6.394 0.955 -0.796 0.00 0.00 +0.119 A ATOM 17 C LIG 1 -5.496 0.848 0.265 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.000 1.164 1.531 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -7.330 1.556 1.683 0.00 0.00 +0.023 A ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 2.379 -1.444 -0.919 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 2.644 -2.694 -0.089 0.00 0.00 -0.023 A ATOM 22 C LIG 1 2.929 -3.910 -0.732 0.00 0.00 +0.005 A ATOM 23 C LIG 1 3.181 -5.067 0.009 0.00 0.00 +0.000 A ATOM 24 C LIG 1 3.162 -5.021 1.401 0.00 0.00 +0.000 A ATOM 25 C LIG 1 2.902 -3.819 2.054 0.00 0.00 +0.000 A ATOM 26 C LIG 1 2.651 -2.660 1.316 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 3.623 -0.633 -0.979 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 3.709 -0.155 -0.076 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 3.575 0.384 -2.036 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 4.859 1.229 -2.067 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 5.054 2.085 -0.836 0.00 0.00 -0.046 A ATOM 32 C LIG 1 5.990 1.716 0.142 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.161 2.495 1.288 0.00 0.00 +0.020 A ATOM 34 C LIG 1 5.395 3.646 1.463 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 5.605 4.606 2.875 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 4.460 4.023 0.502 0.00 0.00 +0.020 A ATOM 37 C LIG 1 4.289 3.244 -0.645 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 8