REMARK Name = BDB060323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.037 -0.900 -1.107 0.00 0.00 +0.085 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 3.232 1.142 0.475 0.00 0.00 -0.327 N ATOM 3 C LIG 1 2.745 1.707 -0.799 0.00 0.00 +0.120 C ATOM 4 C LIG 1 1.804 0.711 -1.508 0.00 0.00 +0.103 C ATOM 5 N LIG 1 0.564 0.422 -0.745 0.00 0.00 -0.299 NA ATOM 6 C LIG 1 0.791 0.586 0.711 0.00 0.00 +0.103 C ATOM 7 C LIG 1 2.235 0.313 1.199 0.00 0.00 +0.120 C BRANCH 2 11 ATOM 8 C LIG 1 7.209 -0.247 0.957 0.00 0.00 +0.037 A ATOM 9 C LIG 1 6.672 -0.114 -0.325 0.00 0.00 +0.015 A ATOM 10 C LIG 1 5.358 0.347 -0.495 0.00 0.00 +0.024 A ATOM 11 C LIG 1 4.546 0.679 0.599 0.00 0.00 +0.030 A ATOM 12 C LIG 1 5.108 0.526 1.879 0.00 0.00 +0.024 A ATOM 13 C LIG 1 6.417 0.065 2.062 0.00 0.00 +0.015 A BRANCH 8 17 ATOM 14 N LIG 1 9.496 -0.582 0.174 0.00 0.00 -0.325 N ATOM 15 H LIG 1 10.458 -0.793 0.411 0.00 0.00 +0.145 HD ATOM 16 H LIG 1 9.341 0.072 -0.579 0.00 0.00 +0.145 HD ATOM 17 C LIG 1 8.594 -0.734 1.192 0.00 0.00 +0.242 C ATOM 18 O LIG 1 8.934 -1.221 2.262 0.00 0.00 -0.270 OA ENDBRANCH 8 17 ENDBRANCH 2 11 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -1.438 -1.101 -0.729 0.00 0.00 +0.021 C BRANCH 19 20 ATOM 20 C LIG 1 -2.362 -0.071 -1.391 0.00 0.00 +0.054 C BRANCH 20 21 ATOM 21 C LIG 1 -3.812 -0.315 -1.048 0.00 0.00 +0.020 A ATOM 22 N LIG 1 -4.428 -1.381 -1.658 0.00 0.00 -0.326 N ATOM 23 H LIG 1 -3.909 -1.968 -2.300 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -5.750 -1.723 -1.497 0.00 0.00 +0.257 A ATOM 25 O LIG 1 -6.242 -2.682 -2.079 0.00 0.00 -0.267 OA ATOM 26 C LIG 1 -6.546 -0.871 -0.580 0.00 0.00 +0.051 A ATOM 27 C LIG 1 -5.923 0.209 0.080 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -6.678 0.987 0.986 0.00 0.00 +0.035 A ATOM 29 C LIG 1 -8.052 0.734 1.107 0.00 0.00 +0.061 A ATOM 30 C LIG 1 -8.643 -0.333 0.436 0.00 0.00 +0.126 A ATOM 31 F LIG 1 -9.951 -0.567 0.599 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -7.902 -1.151 -0.398 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.505 0.478 -0.215 0.00 0.00 +0.031 A BRANCH 28 34 ATOM 34 N LIG 1 -6.158 2.134 1.616 0.00 0.00 -0.357 N ATOM 35 H LIG 1 -6.698 2.443 2.420 0.00 0.00 +0.142 HD ATOM 36 H LIG 1 -5.170 2.075 1.838 0.00 0.00 +0.142 HD ENDBRANCH 28 34 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7