REMARK Name = LIG001657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.864 -0.676 -1.652 0.00 0.00 +0.038 A ATOM 2 C UNK A 0 -2.118 -0.591 -1.066 0.00 0.00 +0.003 A ATOM 3 C UNK A 0 -2.553 0.168 0.143 0.00 0.00 +0.146 C ATOM 4 N UNK A 0 -3.961 -0.188 0.261 0.00 0.00 -0.282 N ATOM 5 C UNK A 0 -4.397 -0.939 -0.815 0.00 0.00 +0.248 C ATOM 6 O UNK A 0 -5.529 -1.282 -1.087 0.00 0.00 -0.270 OA ATOM 7 C UNK A 0 -3.217 -1.234 -1.635 0.00 0.00 +0.043 A ATOM 8 C UNK A 0 -3.130 -1.997 -2.783 0.00 0.00 +0.013 A ATOM 9 C UNK A 0 -1.872 -2.122 -3.367 0.00 0.00 +0.003 A ATOM 10 C UNK A 0 -0.752 -1.478 -2.801 0.00 0.00 +0.023 A ENDROOT BRANCH 4 11 ATOM 11 C UNK A 0 -4.818 0.450 1.254 0.00 0.00 +0.163 C ATOM 12 C UNK A 0 -5.679 1.529 0.595 0.00 0.00 +0.240 C ATOM 13 O UNK A 0 -5.188 2.510 0.035 0.00 0.00 -0.273 OA ATOM 14 N UNK A 0 -7.037 1.338 0.606 0.00 0.00 -0.255 N ATOM 15 H UNK A 0 -7.585 2.053 0.149 0.00 0.00 +0.158 HD ATOM 16 C UNK A 0 -7.739 0.234 1.011 0.00 0.00 +0.219 C ATOM 17 O UNK A 0 -8.962 0.194 0.891 0.00 0.00 -0.275 OA ATOM 18 C UNK A 0 -6.954 -0.922 1.578 0.00 0.00 +0.098 C ATOM 19 C UNK A 0 -5.612 -0.500 2.147 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 20 ATOM 20 N UNK A 0 0.244 -0.075 -1.027 0.00 0.00 -0.299 N ATOM 21 H UNK A 0 0.551 -0.625 -0.224 0.00 0.00 +0.154 HD BRANCH 20 24 ATOM 22 C UNK A 0 3.725 0.449 -1.565 0.00 0.00 +0.217 A ATOM 23 N UNK A 0 2.576 0.036 -1.015 0.00 0.00 -0.199 NA ATOM 24 C UNK A 0 1.434 0.348 -1.648 0.00 0.00 +0.128 A ATOM 25 C UNK A 0 1.416 1.087 -2.810 0.00 0.00 +0.063 A ATOM 26 C UNK A 0 2.639 1.467 -3.297 0.00 0.00 +0.118 A ATOM 27 N UNK A 0 3.801 1.157 -2.696 0.00 0.00 -0.223 NA BRANCH 22 28 ATOM 28 N VAL A 1 4.943 0.147 -0.973 0.00 0.00 -0.308 N ATOM 29 H VAL A 1 5.611 0.770 -1.412 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 CA VAL A 1 4.947 0.107 0.496 0.00 0.00 +0.101 C BRANCH 30 32 ATOM 31 CG1 VAL A 1 6.545 0.456 2.504 0.00 0.00 +0.009 C ATOM 32 CB VAL A 1 6.302 0.692 1.010 0.00 0.00 +0.005 C ATOM 33 CG2 VAL A 1 6.384 2.204 0.742 0.00 0.00 +0.009 C ENDBRANCH 30 32 BRANCH 30 34 ATOM 34 C VAL A 1 4.713 -1.357 0.943 0.00 0.00 +0.178 C BRANCH 34 35 ATOM 35 O VAL A 1 4.255 -1.425 2.293 0.00 0.00 -0.393 OA ATOM 36 H VAL A 1 4.098 -2.366 2.484 0.00 0.00 +0.209 HD ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 28 30 ENDBRANCH 22 28 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 8