REMARK Name = BDB008243 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.380 -1.276 0.155 0.00 0.00 +0.128 A ATOM 2 N LIG 1 1.385 0.032 -0.142 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.241 0.608 -0.569 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.940 -0.098 -0.711 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.953 -1.458 -0.395 0.00 0.00 -0.011 A ATOM 6 C LIG 1 0.235 -2.052 0.039 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.175 -2.248 -0.528 0.00 0.00 -0.007 A ATOM 8 C LIG 1 -3.017 -2.474 0.590 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -3.041 -2.102 1.970 0.00 0.00 +0.068 A ATOM 10 N LIG 1 -4.099 -2.614 2.610 0.00 0.00 -0.176 NA ATOM 11 N LIG 1 -4.760 -3.291 1.657 0.00 0.00 -0.266 N ATOM 12 C LIG 1 -5.986 -3.975 1.995 0.00 0.00 +0.173 C ATOM 13 C LIG 1 -2.078 -1.259 2.721 0.00 0.00 +0.068 C ATOM 14 C LIG 1 -4.165 -3.249 0.422 0.00 0.00 +0.069 A ATOM 15 C LIG 1 -4.531 -3.812 -0.809 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -3.698 -3.574 -1.903 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -2.542 -2.808 -1.768 0.00 0.00 +0.009 A ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 3.800 -1.446 0.815 0.00 0.00 +0.235 C ATOM 19 N LIG 1 2.536 -1.917 0.603 0.00 0.00 -0.269 N ATOM 20 H LIG 1 2.472 -2.904 0.811 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 4.622 -2.279 1.222 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 4.163 0.041 0.587 0.00 0.00 +0.137 C ATOM 23 C LIG 1 3.752 0.849 1.819 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 6.071 -0.324 -0.891 0.00 0.00 +0.101 C ATOM 25 N LIG 1 5.624 0.231 0.381 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 5.835 1.227 0.399 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 0.373 1.967 -0.842 0.00 0.00 -0.265 N ATOM 28 H LIG 1 1.302 2.341 -0.678 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 -0.572 2.856 -1.294 0.00 0.00 +0.268 C ATOM 30 O LIG 1 -1.743 2.615 -1.562 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 -0.034 4.248 -1.454 0.00 0.00 +0.126 A ATOM 32 N LIG 1 1.283 4.423 -1.141 0.00 0.00 -0.249 NA ATOM 33 C LIG 1 1.770 5.681 -1.283 0.00 0.00 +0.131 A ATOM 34 C LIG 1 1.014 6.761 -1.719 0.00 0.00 +0.059 A ATOM 35 CL LIG 1 1.712 8.320 -1.871 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 -0.326 6.551 -2.032 0.00 0.00 +0.024 A ATOM 37 C LIG 1 -0.865 5.272 -1.898 0.00 0.00 +0.034 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6