REMARK Name = LIG000806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.601 -0.087 1.755 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -1.331 0.151 2.411 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.057 -0.829 0.651 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -2.349 -0.635 0.167 0.00 0.00 +0.003 A ATOM 5 C LIG 1 -3.431 0.268 0.661 0.00 0.00 +0.146 C ATOM 6 N LIG 1 -4.500 0.075 -0.307 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -4.201 -0.933 -1.204 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -4.925 -1.441 -2.036 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -2.815 -1.338 -0.947 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.045 -2.246 -1.643 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -0.742 -2.436 -1.196 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -0.258 -1.731 -0.073 0.00 0.00 +0.023 A BRANCH 6 13 ATOM 13 C LIG 1 -5.822 0.653 -0.090 0.00 0.00 +0.163 C ATOM 14 C LIG 1 -6.733 -0.361 0.601 0.00 0.00 +0.240 C ATOM 15 O LIG 1 -6.458 -0.841 1.702 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -7.862 -0.752 -0.069 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -8.450 -1.422 0.408 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -8.239 -0.455 -1.351 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -9.277 -0.920 -1.818 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -7.323 0.426 -2.159 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -6.461 1.333 -1.299 0.00 0.00 +0.041 C ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 27 ATOM 22 C LIG 1 3.062 0.198 1.854 0.00 0.00 +0.282 C ATOM 23 N LIG 1 3.194 0.589 3.231 0.00 0.00 -0.314 N ATOM 24 H LIG 1 3.982 1.221 3.323 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 2.101 0.917 3.977 0.00 0.00 +0.074 C ATOM 26 C LIG 1 0.858 0.710 3.550 0.00 0.00 +0.058 C ATOM 27 C LIG 1 0.702 0.149 2.170 0.00 0.00 +0.123 C ATOM 28 N LIG 1 1.710 -0.056 1.387 0.00 0.00 -0.229 NA BRANCH 22 29 ATOM 29 N LIG 1 3.677 1.288 1.124 0.00 0.00 -0.307 N ATOM 30 H LIG 1 2.890 1.806 0.755 0.00 0.00 +0.150 HD BRANCH 29 36 ATOM 31 C LIG 1 7.039 -0.762 -3.061 0.00 0.00 +0.044 C ATOM 32 C LIG 1 6.176 -0.174 -1.985 0.00 0.00 -0.050 A ATOM 33 C LIG 1 4.861 0.209 -2.261 0.00 0.00 +0.008 A ATOM 34 C LIG 1 4.024 0.732 -1.258 0.00 0.00 -0.029 A ATOM 35 C LIG 1 2.616 1.104 -1.642 0.00 0.00 +0.045 C ATOM 36 C LIG 1 4.512 0.855 0.063 0.00 0.00 +0.036 A ATOM 37 C LIG 1 5.844 0.468 0.344 0.00 0.00 -0.029 A ATOM 38 C LIG 1 6.424 0.583 1.728 0.00 0.00 +0.045 C ATOM 39 C LIG 1 6.653 -0.053 -0.679 0.00 0.00 +0.008 A ENDBRANCH 29 36 ENDBRANCH 22 29 ENDBRANCH 1 27 TORSDOF 5