REMARK Name = BDB024401 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.529 1.662 0.018 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.377 3.149 -0.270 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.767 3.662 -1.518 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.636 5.023 -1.800 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.123 5.889 -0.838 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.749 5.399 0.411 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.880 4.039 0.697 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.784 0.896 -0.201 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.678 1.219 -1.155 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.249 1.081 0.692 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.210 0.826 1.895 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.628 -0.595 0.260 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -4.102 -0.103 -0.928 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -2.842 0.382 -1.060 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -2.056 0.381 0.038 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.492 -0.099 1.265 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.794 -0.592 1.375 0.00 0.00 +0.013 A BRANCH 12 20 ATOM 18 C LIG 1 -5.724 -3.542 1.250 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -6.477 -2.360 0.768 0.00 0.00 +0.089 A ATOM 20 C LIG 1 -5.978 -1.101 0.338 0.00 0.00 +0.048 A ATOM 21 C LIG 1 -7.111 -0.390 0.006 0.00 0.00 +0.142 A ATOM 22 C LIG 1 -7.380 0.975 -0.487 0.00 0.00 +0.090 C ATOM 23 O LIG 1 -8.205 -1.172 0.209 0.00 0.00 -0.359 OA ATOM 24 N LIG 1 -7.812 -2.406 0.690 0.00 0.00 -0.083 NA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.722 1.437 0.867 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 2.433 1.658 1.825 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.197 0.048 0.845 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 4.018 -0.322 -0.416 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.252 0.573 -0.590 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 4.403 -1.797 -0.391 0.00 0.00 -0.043 A ATOM 31 C LIG 1 3.838 -2.680 -1.323 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.170 -4.038 -1.313 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.072 -4.533 -0.367 0.00 0.00 +0.052 A ATOM 34 C LIG 1 5.638 -3.663 0.568 0.00 0.00 +0.019 A ATOM 35 C LIG 1 5.305 -2.306 0.557 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 5.412 -5.925 -0.355 0.00 0.00 +0.099 C ATOM 37 N LIG 1 5.686 -7.053 -0.347 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9