REMARK Name = BDB010534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.432 0.394 -0.908 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.681 1.710 -0.558 0.00 0.00 +0.115 A ATOM 3 C LIG 1 0.311 2.418 -1.221 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.499 3.744 -1.126 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -0.381 4.329 -0.305 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.404 3.752 0.350 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.041 1.621 -2.040 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.600 2.419 0.212 0.00 0.00 +0.101 A ATOM 9 C LIG 1 0.601 0.402 -1.833 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -0.199 5.787 -0.123 0.00 0.00 +0.220 A ATOM 11 N LIG 1 0.798 6.409 -0.775 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.469 5.992 -1.400 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 0.739 7.702 -0.435 0.00 0.00 +0.440 A ATOM 14 O LIG 1 1.487 8.582 -0.828 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -0.309 7.874 0.436 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -0.902 6.582 0.616 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.790 1.888 0.868 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.845 1.332 0.127 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -4.977 0.832 0.772 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -6.238 0.120 -0.158 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -5.092 0.897 2.158 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -4.071 1.478 2.905 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.934 1.976 2.264 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 0.958 -0.702 -2.540 0.00 0.00 -0.289 N ATOM 25 C LIG 1 2.038 -1.613 -2.041 0.00 0.00 +0.132 C ATOM 26 C LIG 1 2.745 -2.348 -3.217 0.00 0.00 +0.187 C ATOM 27 O LIG 1 1.818 -2.884 -4.168 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 0.930 -1.887 -4.695 0.00 0.00 +0.179 C ATOM 29 C LIG 1 1.003 -0.515 -4.002 0.00 0.00 +0.136 C BRANCH 25 30 ATOM 30 C LIG 1 3.109 -0.987 -1.154 0.00 0.00 -0.025 A ATOM 31 C LIG 1 3.782 0.192 -1.512 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.790 0.719 -0.701 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.157 0.064 0.471 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.521 -1.121 0.830 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.512 -1.646 0.020 0.00 0.00 +0.005 A ENDBRANCH 25 30 ENDBRANCH 9 24 BRANCH 1 36 ATOM 36 C LIG 1 -1.196 -0.779 -0.510 0.00 0.00 +0.128 C BRANCH 36 41 ATOM 37 C LIG 1 -1.227 -4.110 3.919 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -0.659 -3.706 2.558 0.00 0.00 -0.014 C ATOM 39 C LIG 1 0.202 -2.438 2.697 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.261 -1.666 1.385 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -1.125 -1.133 0.991 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -2.255 -2.108 1.386 0.00 0.00 +0.005 C ATOM 43 C LIG 1 -1.772 -3.550 1.505 0.00 0.00 +0.003 C ENDBRANCH 36 41 ENDBRANCH 1 36 TORSDOF 6