REMARK Name = BDB058649 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.660 2.043 -0.494 0.00 0.00 +0.057 A ATOM 2 C LIG 1 0.690 1.879 -0.078 0.00 0.00 +0.053 A ATOM 3 C LIG 1 1.551 2.994 -0.051 0.00 0.00 +0.054 A ATOM 4 C LIG 1 1.064 4.248 -0.443 0.00 0.00 +0.091 A ATOM 5 C LIG 1 -0.257 4.367 -0.852 0.00 0.00 +0.068 A ATOM 6 N LIG 1 -0.399 5.696 -1.160 0.00 0.00 -0.344 N ATOM 7 H LIG 1 -1.242 6.139 -1.494 0.00 0.00 +0.167 HD ATOM 8 C LIG 1 0.802 6.309 -0.939 0.00 0.00 +0.197 A ATOM 9 N LIG 1 1.708 5.461 -0.507 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -1.151 3.294 -0.895 0.00 0.00 +0.053 A ENDROOT BRANCH 2 11 ATOM 11 N LIG 1 1.156 0.577 0.240 0.00 0.00 -0.328 N ATOM 12 C LIG 1 1.976 0.472 1.451 0.00 0.00 +0.105 C ATOM 13 C LIG 1 2.188 -1.009 1.758 0.00 0.00 +0.024 C ATOM 14 C LIG 1 2.863 -1.759 0.590 0.00 0.00 +0.017 C ATOM 15 C LIG 1 2.935 -0.900 -0.682 0.00 0.00 +0.024 C ATOM 16 C LIG 1 1.636 -0.140 -0.957 0.00 0.00 +0.105 C BRANCH 14 17 ATOM 17 C LIG 1 2.173 -3.099 0.305 0.00 0.00 +0.159 C BRANCH 17 18 ATOM 18 O LIG 1 2.128 -3.909 1.475 0.00 0.00 -0.395 OA ATOM 19 H LIG 1 3.047 -4.063 1.755 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 2 11 BRANCH 1 22 ATOM 20 O LIG 1 -3.437 1.572 -1.455 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 -2.767 0.723 -0.875 0.00 0.00 +0.253 C ATOM 22 N LIG 1 -1.472 0.886 -0.440 0.00 0.00 -0.280 N ATOM 23 H LIG 1 -1.008 0.083 -0.010 0.00 0.00 +0.155 HD BRANCH 21 24 ATOM 24 C LIG 1 -3.331 -0.593 -0.622 0.00 0.00 +0.101 A ATOM 25 C LIG 1 -2.800 -1.657 0.084 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -3.762 -2.675 0.040 0.00 0.00 -0.221 N ATOM 27 C LIG 1 -3.540 -3.888 0.684 0.00 0.00 +0.116 A ATOM 28 C LIG 1 -2.404 -4.097 1.361 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -1.446 -2.958 1.354 0.00 0.00 +0.114 A ATOM 30 N LIG 1 -4.854 -2.310 -0.670 0.00 0.00 -0.173 NA ATOM 31 N LIG 1 -1.612 -1.817 0.752 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -4.592 -1.060 -1.052 0.00 0.00 +0.150 A ENDBRANCH 21 24 ENDBRANCH 1 22 TORSDOF 5