REMARK Name = LIG001603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.713 -0.087 0.963 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.643 -0.670 1.628 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.624 -1.133 2.752 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.501 -0.629 0.710 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.935 -0.093 -0.500 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.051 0.057 -1.557 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -0.711 -0.334 -1.378 0.00 0.00 -0.012 A ATOM 8 C LIG 1 -0.299 -0.878 -0.139 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -1.198 -1.032 0.921 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.390 0.230 -0.422 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -10.185 -0.222 1.183 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.971 -0.217 1.362 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -8.214 -1.333 1.109 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -8.723 -2.100 0.691 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.859 -1.344 0.866 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.357 -2.244 0.197 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.075 -0.167 1.474 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.861 1.121 1.246 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -8.235 0.994 1.885 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 0.230 -0.195 -2.479 0.00 0.00 +0.046 A ATOM 21 C LIG 1 1.557 0.184 -2.369 0.00 0.00 +0.165 A ATOM 22 N LIG 1 2.064 0.196 -3.671 0.00 0.00 -0.221 N ATOM 23 C LIG 1 3.386 0.541 -3.910 0.00 0.00 +0.118 A ATOM 24 C LIG 1 4.195 0.867 -2.895 0.00 0.00 +0.063 A ATOM 25 C LIG 1 3.594 0.835 -1.519 0.00 0.00 +0.123 A ATOM 26 N LIG 1 1.128 -0.149 -4.588 0.00 0.00 -0.173 NA ATOM 27 N LIG 1 2.340 0.517 -1.294 0.00 0.00 -0.213 NA ATOM 28 C LIG 1 0.033 -0.380 -3.864 0.00 0.00 +0.145 A BRANCH 25 29 ATOM 29 N LIG 1 4.323 1.149 -0.398 0.00 0.00 -0.326 N ATOM 30 H LIG 1 3.754 0.995 0.432 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 5.735 0.852 -0.201 0.00 0.00 +0.072 C ATOM 32 C LIG 1 6.248 1.698 0.981 0.00 0.00 +0.022 C ATOM 33 C LIG 1 7.418 1.029 1.690 0.00 0.00 +0.002 C ATOM 34 C LIG 1 7.019 -0.324 2.282 0.00 0.00 +0.000 C ATOM 35 C LIG 1 5.916 -1.033 1.494 0.00 0.00 +0.002 C ATOM 36 C LIG 1 5.943 -0.658 0.016 0.00 0.00 +0.022 C ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 7 20 TORSDOF 4