REMARK Name = BDB060433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.398 2.045 0.263 0.00 0.00 -0.281 N ATOM 2 H LIG 1 -0.820 2.894 0.622 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.858 2.279 -0.246 0.00 0.00 +0.248 C ATOM 4 O LIG 1 1.435 3.337 0.001 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 14 ATOM 5 C LIG 1 -7.507 2.458 1.237 0.00 0.00 +0.129 C ATOM 6 N LIG 1 -6.689 1.303 1.523 0.00 0.00 -0.302 N ATOM 7 H LIG 1 -6.715 0.992 2.482 0.00 0.00 +0.150 HD ATOM 8 C LIG 1 -5.430 1.211 0.956 0.00 0.00 +0.306 C ATOM 9 N LIG 1 -4.730 0.039 1.312 0.00 0.00 -0.255 N ATOM 10 C LIG 1 -3.323 -0.115 1.011 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -2.731 -1.392 0.989 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -1.368 -1.533 0.681 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.572 -0.416 0.426 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -1.128 0.857 0.464 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -3.530 -2.635 1.262 0.00 0.00 +0.038 C ATOM 16 C LIG 1 -4.669 -2.309 2.203 0.00 0.00 +0.024 C ATOM 17 C LIG 1 -2.488 0.994 0.785 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -5.495 -1.181 1.612 0.00 0.00 +0.115 C ATOM 19 O LIG 1 -5.019 2.092 0.206 0.00 0.00 -0.252 OA ENDBRANCH 1 14 BRANCH 3 20 ATOM 20 C LIG 1 1.506 1.329 -1.174 0.00 0.00 +0.038 A ATOM 21 C LIG 1 2.862 1.027 -0.988 0.00 0.00 +0.021 A ATOM 22 C LIG 1 3.520 0.159 -1.870 0.00 0.00 -0.014 A ATOM 23 C LIG 1 2.801 -0.381 -2.948 0.00 0.00 +0.008 A ATOM 24 C LIG 1 1.455 -0.057 -3.148 0.00 0.00 +0.001 A ATOM 25 C LIG 1 0.808 0.805 -2.266 0.00 0.00 +0.013 A BRANCH 22 26 ATOM 26 C LIG 1 4.922 -0.175 -1.688 0.00 0.00 +0.020 A ATOM 27 C LIG 1 5.587 -0.196 -0.482 0.00 0.00 +0.126 A ATOM 28 N LIG 1 6.893 -0.572 -0.733 0.00 0.00 -0.207 N ATOM 29 C LIG 1 7.926 -0.724 0.206 0.00 0.00 +0.244 C ATOM 30 O LIG 1 7.703 -0.522 1.395 0.00 0.00 -0.271 OA ATOM 31 C LIG 1 9.246 -1.138 -0.369 0.00 0.00 +0.114 C ATOM 32 N LIG 1 7.097 -0.804 -2.059 0.00 0.00 -0.172 NA ATOM 33 C LIG 1 5.910 -0.561 -2.621 0.00 0.00 +0.143 A ENDBRANCH 22 26 ENDBRANCH 3 20 TORSDOF 3