REMARK Name = BDB000019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.798 0.159 -0.419 0.00 0.00 -0.222 N ATOM 2 C LIG 1 3.441 0.300 -0.303 0.00 0.00 +0.256 C ATOM 3 O LIG 1 2.807 0.923 0.530 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 2.837 -0.436 -1.413 0.00 0.00 +0.071 A ATOM 5 C LIG 1 3.873 -1.008 -2.133 0.00 0.00 +0.051 A ATOM 6 C LIG 1 3.649 -1.770 -3.261 0.00 0.00 +0.014 A ATOM 7 C LIG 1 2.322 -1.931 -3.660 0.00 0.00 +0.003 A ATOM 8 C LIG 1 1.267 -1.347 -2.921 0.00 0.00 +0.024 A ATOM 9 C LIG 1 1.502 -0.594 -1.760 0.00 0.00 +0.044 A ATOM 10 C LIG 1 5.125 -0.650 -1.472 0.00 0.00 +0.255 C ATOM 11 O LIG 1 6.220 -1.043 -1.826 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 9.221 0.644 2.798 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.197 0.647 2.123 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.270 -0.359 2.237 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.517 -1.118 2.859 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.110 -0.527 1.514 0.00 0.00 +0.240 C ATOM 17 O LIG 1 5.417 -1.530 1.672 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.730 0.635 0.591 0.00 0.00 +0.171 C ATOM 19 C LIG 1 6.987 1.293 0.027 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.856 1.777 1.178 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 9 21 ATOM 21 N LIG 1 0.483 -0.012 -0.993 0.00 0.00 -0.314 N ATOM 22 H LIG 1 0.833 0.616 -0.264 0.00 0.00 +0.152 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.867 -0.378 -0.759 0.00 0.00 +0.036 A ATOM 24 C LIG 1 -1.774 0.619 -0.307 0.00 0.00 -0.021 A ATOM 25 C LIG 1 -3.138 0.285 -0.149 0.00 0.00 +0.033 A ATOM 26 C LIG 1 -3.567 -1.025 -0.408 0.00 0.00 +0.070 A ATOM 27 C LIG 1 -2.681 -2.007 -0.831 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -3.469 -3.166 -0.973 0.00 0.00 +0.143 A ATOM 29 N LIG 1 -4.752 -2.956 -0.676 0.00 0.00 -0.178 NA ATOM 30 N LIG 1 -4.794 -1.648 -0.337 0.00 0.00 -0.261 N ATOM 31 C LIG 1 -1.325 -1.685 -1.013 0.00 0.00 +0.035 A BRANCH 30 32 ATOM 32 C LIG 1 -6.075 -1.086 0.079 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -6.078 -0.665 1.549 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -7.458 -0.160 1.957 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -8.199 0.414 0.879 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -7.380 1.070 -0.080 0.00 0.00 +0.162 C ATOM 37 C LIG 1 -6.562 0.040 -0.846 0.00 0.00 +0.055 C ENDBRANCH 30 32 BRANCH 24 38 ATOM 38 C LIG 1 -1.321 2.048 -0.043 0.00 0.00 +0.021 C ATOM 39 C LIG 1 -0.431 2.344 1.146 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -1.846 2.831 1.141 0.00 0.00 +0.009 C ENDBRANCH 24 38 ENDBRANCH 21 23 ENDBRANCH 9 21 TORSDOF 5