REMARK Name = BDB011039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.472 -1.215 -0.397 0.00 0.00 +0.151 A ATOM 2 N LIG 1 0.296 -0.486 -0.609 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.771 -1.308 -0.281 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -0.176 -2.403 0.321 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -0.837 -3.425 0.884 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.164 -3.278 0.804 0.00 0.00 +0.201 A ATOM 7 N LIG 1 -2.849 -2.288 0.204 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -2.161 -1.281 -0.382 0.00 0.00 +0.101 A ATOM 9 N LIG 1 1.176 -2.343 0.232 0.00 0.00 -0.209 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.954 -4.382 1.422 0.00 0.00 +0.212 A ATOM 11 N LIG 1 -2.348 -5.394 2.129 0.00 0.00 -0.194 N ATOM 12 H LIG 1 -1.490 -5.768 1.729 0.00 0.00 +0.209 HD ATOM 13 O LIG 1 -3.378 -6.316 2.346 0.00 0.00 -0.320 OA ATOM 14 C LIG 1 -4.548 -5.703 1.933 0.00 0.00 +0.461 A ATOM 15 O LIG 1 -5.657 -6.197 2.063 0.00 0.00 -0.219 OA ATOM 16 N LIG 1 -4.252 -4.500 1.333 0.00 0.00 -0.150 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.964 -0.296 -1.097 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.835 -0.117 -2.484 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -3.618 0.824 -3.154 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -3.415 1.046 -4.848 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -4.555 1.588 -2.464 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -4.720 1.401 -1.094 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.936 0.461 -0.420 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 2.886 -0.826 -0.884 0.00 0.00 +0.165 C ATOM 25 C LIG 1 2.837 -0.805 -2.437 0.00 0.00 +0.057 C BRANCH 24 26 ATOM 26 C LIG 1 4.035 -1.798 -0.475 0.00 0.00 +0.080 A ATOM 27 N LIG 1 5.106 -1.886 -1.317 0.00 0.00 -0.257 NA ATOM 28 C LIG 1 6.143 -2.681 -0.970 0.00 0.00 +0.111 A ATOM 29 C LIG 1 6.197 -3.402 0.206 0.00 0.00 +0.020 A ATOM 30 C LIG 1 5.127 -3.296 1.080 0.00 0.00 +0.003 A ATOM 31 C LIG 1 4.043 -2.484 0.745 0.00 0.00 +0.027 A ENDBRANCH 24 26 BRANCH 24 33 ATOM 32 C LIG 1 3.678 0.715 0.825 0.00 0.00 +0.195 C ATOM 33 O LIG 1 3.134 0.540 -0.476 0.00 0.00 -0.363 OA ENDBRANCH 24 33 ENDBRANCH 1 24 BRANCH 2 34 ATOM 34 C LIG 1 0.181 0.886 -1.086 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 -0.440 1.871 -0.074 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.837 3.173 -0.788 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.456 4.180 0.179 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.526 4.477 1.361 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -1.191 5.440 2.343 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.113 3.181 2.069 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.505 2.179 1.094 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7