REMARK Name = BDB013890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.153 0.091 -0.165 0.00 0.00 -0.265 N ATOM 2 C LIG 1 -0.137 -0.468 -1.484 0.00 0.00 +0.040 A ATOM 3 C LIG 1 0.709 -1.553 -1.798 0.00 0.00 -0.026 A ATOM 4 C LIG 1 0.720 -2.077 -3.101 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.110 -1.547 -4.085 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.957 -0.490 -3.777 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.562 -2.203 -0.742 0.00 0.00 +0.039 C ATOM 8 C LIG 1 2.731 -1.320 -0.331 0.00 0.00 +0.036 C ATOM 9 C LIG 1 2.371 0.155 -0.157 0.00 0.00 +0.160 C ATOM 10 C LIG 1 -0.971 0.043 -2.486 0.00 0.00 +0.024 A ATOM 11 C LIG 1 1.015 0.357 0.555 0.00 0.00 +0.240 C ATOM 12 O LIG 1 1.000 0.786 1.717 0.00 0.00 -0.273 OA ENDROOT BRANCH 9 13 ATOM 13 N LIG 1 3.392 0.845 0.635 0.00 0.00 -0.303 N ATOM 14 H LIG 1 3.108 1.156 1.561 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 4.628 1.175 0.135 0.00 0.00 +0.230 C ATOM 16 O LIG 1 4.983 0.890 -1.007 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 5.523 1.952 1.124 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.163 3.433 1.054 0.00 0.00 +0.034 C BRANCH 17 19 ATOM 19 N LIG 1 6.953 1.787 0.783 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 7.034 1.885 -0.234 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 7.440 0.462 1.150 0.00 0.00 +0.101 C ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 9 13 BRANCH 1 22 ATOM 22 C LIG 1 -1.431 0.546 0.416 0.00 0.00 +0.153 C BRANCH 22 24 ATOM 23 C LIG 1 -3.715 -0.252 -0.331 0.00 0.00 +0.126 A ATOM 24 C LIG 1 -2.544 -0.494 0.415 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.438 -1.708 1.162 0.00 0.00 -0.010 A ATOM 26 C LIG 1 -3.466 -2.680 1.044 0.00 0.00 -0.017 A ATOM 27 C LIG 1 -3.381 -3.892 1.750 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -2.303 -4.160 2.590 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -1.299 -3.216 2.739 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.574 -2.433 0.226 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -1.370 -2.008 2.039 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.704 -1.226 -0.452 0.00 0.00 +0.046 A BRANCH 23 33 ATOM 33 O LIG 1 -3.838 0.938 -1.001 0.00 0.00 -0.492 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.021 1.676 -0.663 0.00 0.00 +0.229 C BRANCH 34 36 ATOM 35 C LIG 1 -5.775 3.904 0.257 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -4.589 3.002 -0.037 0.00 0.00 +0.038 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 8