REMARK Name = BDB010858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.865 -0.781 -0.384 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.763 -1.608 -0.163 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.911 -2.763 0.591 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.254 -3.464 0.680 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 1.126 -2.780 -0.027 0.00 0.00 +0.116 A ATOM 6 N LIG 1 -2.061 -3.160 1.157 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.066 -2.315 0.894 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.567 -1.622 -0.525 0.00 0.00 -0.323 N ATOM 9 N LIG 1 -3.028 -1.181 0.169 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.369 -2.685 1.489 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.464 -3.817 2.207 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.727 -4.477 2.400 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.732 -3.909 2.625 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.200 -4.805 3.308 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.423 -2.818 2.157 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.485 -2.033 1.411 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 2.596 -3.264 -0.248 0.00 0.00 +0.055 C ATOM 18 C LIG 1 2.964 -4.628 0.391 0.00 0.00 +0.011 C ATOM 19 C LIG 1 3.795 -4.911 -0.878 0.00 0.00 +0.001 C ATOM 20 C LIG 1 2.851 -3.941 -1.619 0.00 0.00 +0.011 C ENDBRANCH 5 17 BRANCH 1 21 ATOM 21 N LIG 1 -1.823 0.378 -1.144 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -0.923 0.829 -1.182 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -2.924 2.177 -2.316 0.00 0.00 +0.028 C ATOM 24 C LIG 1 -2.948 1.316 -1.051 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -2.855 2.146 0.236 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -1.657 3.112 0.471 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -2.628 3.995 1.283 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -3.774 3.384 0.448 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 8 29 ATOM 29 C LIG 1 1.258 -0.635 -1.335 0.00 0.00 +0.127 C BRANCH 29 30 ATOM 30 C LIG 1 1.654 0.635 -0.556 0.00 0.00 +0.009 C ATOM 31 C LIG 1 1.996 1.764 -1.541 0.00 0.00 +0.005 C ATOM 32 C LIG 1 2.419 3.041 -0.819 0.00 0.00 +0.003 C ATOM 33 C LIG 1 3.590 2.790 0.138 0.00 0.00 -0.014 C ATOM 34 C LIG 1 3.959 4.069 0.886 0.00 0.00 +0.007 C ATOM 35 C LIG 1 3.253 1.665 1.123 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.830 0.386 0.401 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 7