REMARK Name = BDB039362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.316 6.074 -1.787 0.00 0.00 +0.150 C ATOM 2 N LIG 1 2.242 4.989 -1.566 0.00 0.00 -0.335 N ATOM 3 C LIG 1 1.874 3.733 -1.156 0.00 0.00 +0.141 A ATOM 4 C LIG 1 3.029 2.962 -1.056 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.890 1.621 -0.647 0.00 0.00 -0.021 A ATOM 6 C LIG 1 1.575 1.191 -0.376 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.485 2.056 -0.515 0.00 0.00 +0.074 A ATOM 8 C LIG 1 4.115 3.808 -1.421 0.00 0.00 +0.029 A ATOM 9 N LIG 1 0.610 3.347 -0.904 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 3.601 5.050 -1.730 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -0.903 1.620 -0.235 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.345 0.314 -0.543 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -2.654 -0.048 -0.258 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -3.361 -1.337 -0.504 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -4.668 -1.107 0.096 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -4.828 0.213 0.493 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -5.833 0.763 0.899 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -3.528 0.869 0.318 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -3.153 2.159 0.626 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -1.833 2.526 0.344 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -5.767 -2.047 -0.096 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -6.551 -1.735 -1.379 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -6.039 -1.246 -2.386 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -7.863 -2.149 -1.401 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -8.366 -1.974 -2.260 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -8.532 -2.877 -0.450 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -9.660 -3.313 -0.664 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -7.777 -3.190 0.821 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -6.712 -2.142 1.102 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 4.043 0.657 -0.487 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 N LIG 1 4.165 0.182 0.894 0.00 0.00 -0.291 NA ATOM 32 C LIG 1 5.367 -0.696 1.038 0.00 0.00 +0.088 C ATOM 33 C LIG 1 5.627 0.025 2.386 0.00 0.00 +0.039 C ATOM 34 C LIG 1 4.843 1.190 1.752 0.00 0.00 +0.087 C BRANCH 32 35 ATOM 35 C LIG 1 4.959 -2.227 1.035 0.00 0.00 -0.030 A ATOM 36 C LIG 1 3.873 -2.735 1.780 0.00 0.00 +0.005 A ATOM 37 C LIG 1 3.530 -4.091 1.771 0.00 0.00 +0.000 A ATOM 38 C LIG 1 4.267 -4.989 1.009 0.00 0.00 +0.000 A ATOM 39 C LIG 1 5.344 -4.530 0.259 0.00 0.00 +0.000 A ATOM 40 C LIG 1 5.680 -3.172 0.276 0.00 0.00 +0.005 A ENDBRANCH 32 35 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 5