REMARK Name = BDB010659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.702 0.427 -0.041 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -1.456 -0.661 -0.428 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.153 -0.203 -1.537 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -2.989 -0.957 -2.268 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -3.083 -2.210 -1.820 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -2.456 -2.759 -0.753 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 -1.885 1.106 -1.793 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.627 -1.978 -0.022 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -1.052 1.488 -0.855 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -0.515 2.724 -0.695 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -1.082 3.614 0.343 0.00 0.00 +0.107 C ATOM 12 C LIG 1 -0.640 5.034 -0.059 0.00 0.00 +0.140 C ATOM 13 O LIG 1 -1.818 5.833 -0.230 0.00 0.00 -0.375 OA ATOM 14 C LIG 1 -2.859 5.185 0.506 0.00 0.00 +0.162 C ATOM 15 C LIG 1 0.113 4.883 -1.373 0.00 0.00 +0.052 C ATOM 16 C LIG 1 -2.601 3.706 0.343 0.00 0.00 +0.053 C ATOM 17 C LIG 1 -0.369 3.540 -1.911 0.00 0.00 +0.111 C ENDBRANCH 9 10 BRANCH 5 18 ATOM 18 C LIG 1 -3.977 -3.130 -2.559 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -4.109 -4.396 -2.130 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.661 -4.817 -1.333 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -4.962 -5.004 -2.963 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -5.328 -6.165 -2.890 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -5.358 -4.098 -3.916 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -4.683 -2.871 -3.612 0.00 0.00 -0.051 NA ENDBRANCH 5 18 BRANCH 8 25 ATOM 25 C LIG 1 -1.003 -2.606 1.134 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -1.422 -2.296 2.437 0.00 0.00 +0.030 A ATOM 27 C LIG 1 -0.818 -2.907 3.537 0.00 0.00 +0.042 A ATOM 28 CL LIG 1 -1.328 -2.492 5.126 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 0.197 -3.844 3.358 0.00 0.00 +0.020 A ATOM 30 C LIG 1 0.608 -4.178 2.070 0.00 0.00 +0.002 A ATOM 31 C LIG 1 0.007 -3.568 0.966 0.00 0.00 +0.010 A ENDBRANCH 8 25 BRANCH 1 32 ATOM 32 C LIG 1 0.352 0.446 0.959 0.00 0.00 +0.128 C BRANCH 32 37 ATOM 33 C LIG 1 5.943 -0.865 -0.196 0.00 0.00 +0.007 C ATOM 34 C LIG 1 4.634 -0.204 0.232 0.00 0.00 -0.014 C ATOM 35 C LIG 1 3.922 -1.051 1.293 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.588 -0.432 1.702 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.667 -0.206 0.493 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.383 0.640 -0.573 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.722 0.027 -0.979 0.00 0.00 +0.003 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 5