REMARK Name = LIG001851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.793 -1.913 -1.544 0.00 0.00 +0.120 A ATOM 2 N LIG 1 1.062 -1.844 -2.860 0.00 0.00 -0.239 NA ATOM 3 C LIG 1 0.028 -1.983 -3.723 0.00 0.00 +0.133 A ATOM 4 C LIG 1 -1.286 -2.216 -3.346 0.00 0.00 +0.068 A ATOM 5 CL LIG 1 -2.484 -2.321 -4.583 0.00 0.00 -0.081 Cl ATOM 6 C LIG 1 -1.572 -2.325 -1.983 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -0.498 -2.165 -1.086 0.00 0.00 +0.055 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -2.914 -2.575 -1.440 0.00 0.00 +0.075 A ATOM 9 N LIG 1 -3.338 -1.665 -0.525 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -4.553 -1.827 0.026 0.00 0.00 +0.119 A ATOM 11 C LIG 1 -5.373 -2.904 -0.282 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -4.929 -3.845 -1.205 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -3.681 -3.682 -1.792 0.00 0.00 +0.028 A BRANCH 10 14 ATOM 14 N LIG 1 -4.920 -0.852 0.959 0.00 0.00 -0.328 N ATOM 15 H LIG 1 -4.085 -0.256 0.985 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 -6.103 -0.077 0.563 0.00 0.00 +0.124 C BRANCH 16 17 ATOM 17 C LIG 1 -6.499 0.972 1.641 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -6.654 0.345 3.043 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -7.890 -0.538 3.123 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -9.053 0.217 2.791 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -9.030 0.720 1.460 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -7.837 1.644 1.249 0.00 0.00 +0.051 C BRANCH 17 23 ATOM 23 C LIG 1 -5.450 2.015 1.684 0.00 0.00 +0.071 C ATOM 24 N LIG 1 -4.629 2.835 1.700 0.00 0.00 -0.196 NA ENDBRANCH 17 23 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 10 14 ENDBRANCH 6 8 BRANCH 1 25 ATOM 25 N LIG 1 1.820 -1.810 -0.598 0.00 0.00 -0.326 N ATOM 26 H LIG 1 1.524 -1.217 0.173 0.00 0.00 +0.148 HD BRANCH 25 30 ATOM 27 C LIG 1 5.088 0.521 0.210 0.00 0.00 +0.054 C ATOM 28 C LIG 1 4.476 -0.697 0.933 0.00 0.00 +0.020 C ATOM 29 C LIG 1 4.190 -1.853 -0.021 0.00 0.00 +0.024 C ATOM 30 C LIG 1 3.156 -1.460 -1.097 0.00 0.00 +0.072 C ATOM 31 C LIG 1 3.222 0.042 -1.444 0.00 0.00 +0.024 C ATOM 32 C LIG 1 4.629 0.601 -1.262 0.00 0.00 +0.020 C BRANCH 27 33 ATOM 33 N LIG 1 6.550 0.425 0.295 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 6.931 -0.029 -0.533 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.282 1.676 0.561 0.00 0.00 +0.076 C ATOM 36 C LIG 1 7.035 2.176 1.989 0.00 0.00 +0.026 C BRANCH 35 37 ATOM 37 C LIG 1 7.058 2.798 -0.480 0.00 0.00 +0.177 C BRANCH 37 39 ATOM 38 C LIG 1 9.221 3.751 -0.774 0.00 0.00 +0.194 C ATOM 39 O LIG 1 7.906 3.930 -0.267 0.00 0.00 -0.381 OA ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 27 33 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 11