REMARK Name = BDB027776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.456 0.665 -0.518 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.021 1.971 -0.741 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.351 2.194 -0.372 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.831 3.479 -0.576 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.134 4.520 -1.102 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.135 4.267 -1.463 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.139 1.240 0.147 0.00 0.00 -0.224 NA ATOM 8 C LIG 1 1.582 0.031 0.286 0.00 0.00 +0.180 A ATOM 9 C LIG 1 -0.730 3.029 -1.306 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.328 -0.305 -0.020 0.00 0.00 -0.211 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.421 -1.010 0.831 0.00 0.00 +0.103 A ATOM 12 N LIG 1 3.724 -0.788 1.187 0.00 0.00 -0.274 N ATOM 13 H LIG 1 4.233 0.087 1.116 0.00 0.00 +0.189 HD ATOM 14 N LIG 1 4.351 -1.873 1.678 0.00 0.00 -0.182 NA ATOM 15 C LIG 1 3.413 -2.821 1.629 0.00 0.00 +0.135 A ATOM 16 C LIG 1 2.196 -2.343 1.112 0.00 0.00 +0.052 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.808 0.357 -0.852 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -2.407 1.035 -0.390 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -1.806 -1.979 -1.816 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.281 -1.046 -0.725 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -3.693 -1.265 -0.219 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -2.527 -1.628 0.649 0.00 0.00 +0.027 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3