REMARK Name = BDB011066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.554 -0.901 -0.102 0.00 0.00 +0.151 A ATOM 2 N LIG 1 -0.431 -0.227 0.385 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.658 1.133 0.222 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -1.807 1.190 -0.550 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -2.355 2.318 -1.023 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -1.679 3.415 -0.678 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -0.578 3.477 0.103 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -0.055 2.331 0.599 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.351 -0.039 -0.713 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.910 -2.387 0.112 0.00 0.00 +0.174 C ATOM 11 C LIG 1 -3.223 -2.778 -0.610 0.00 0.00 +0.122 A ATOM 12 C LIG 1 -4.411 -2.915 0.116 0.00 0.00 +0.145 A ATOM 13 C LIG 1 -5.584 -3.261 -0.555 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -5.567 -3.427 -1.933 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.366 -3.250 -2.590 0.00 0.00 +0.111 A ATOM 16 O LIG 1 -4.536 -2.761 1.468 0.00 0.00 -0.490 OA ATOM 17 C LIG 1 -3.451 -2.069 2.075 0.00 0.00 +0.233 C ATOM 18 N LIG 1 -3.208 -2.940 -1.967 0.00 0.00 -0.253 NA ATOM 19 C LIG 1 -2.122 -2.637 1.623 0.00 0.00 +0.090 C BRANCH 10 21 ATOM 20 C LIG 1 -0.526 -3.486 -1.579 0.00 0.00 +0.195 C ATOM 21 O LIG 1 -0.742 -3.182 -0.210 0.00 0.00 -0.362 OA ENDBRANCH 10 21 ENDBRANCH 1 10 BRANCH 6 22 ATOM 22 C LIG 1 -2.205 4.698 -1.187 0.00 0.00 +0.287 A ATOM 23 O LIG 1 -1.502 5.805 -0.825 0.00 0.00 -0.385 OA ATOM 24 C LIG 1 -2.179 6.828 -1.409 0.00 0.00 +0.436 A ATOM 25 O LIG 1 -1.886 8.008 -1.341 0.00 0.00 -0.221 OA ATOM 26 N LIG 1 -3.231 6.265 -2.075 0.00 0.00 -0.208 N ATOM 27 H LIG 1 -3.924 6.767 -2.613 0.00 0.00 +0.195 HD ATOM 28 N LIG 1 -3.247 4.914 -1.934 0.00 0.00 -0.127 NA ENDBRANCH 6 22 BRANCH 8 29 ATOM 29 C LIG 1 1.052 2.496 1.527 0.00 0.00 +0.022 A ATOM 30 C LIG 1 0.970 2.093 2.867 0.00 0.00 +0.033 A ATOM 31 C LIG 1 2.055 2.283 3.719 0.00 0.00 +0.060 A ATOM 32 CL LIG 1 1.975 1.765 5.353 0.00 0.00 -0.082 Cl ATOM 33 C LIG 1 3.195 2.886 3.216 0.00 0.00 +0.130 A ATOM 34 N LIG 1 3.312 3.312 1.938 0.00 0.00 -0.261 NA ATOM 35 C LIG 1 2.235 3.126 1.135 0.00 0.00 +0.120 A ENDBRANCH 8 29 BRANCH 2 36 ATOM 36 C LIG 1 0.760 -0.817 0.978 0.00 0.00 +0.127 C BRANCH 36 37 ATOM 37 C LIG 1 2.074 -0.562 0.209 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.136 -1.293 -1.132 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.394 -0.917 -1.921 0.00 0.00 +0.003 C ATOM 40 C LIG 1 4.664 -0.781 -1.060 0.00 0.00 -0.014 C ATOM 41 C LIG 1 5.094 0.682 -0.919 0.00 0.00 +0.007 C ATOM 42 C LIG 1 4.492 -1.448 0.308 0.00 0.00 +0.003 C ATOM 43 C LIG 1 3.281 -0.938 1.092 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 6