REMARK Name = BDB034234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.316 -0.896 -0.461 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.661 -0.971 -0.842 0.00 0.00 +0.051 A ATOM 3 C LIG 1 2.618 -0.907 0.155 0.00 0.00 -0.015 A ATOM 4 C LIG 1 4.106 -0.958 0.051 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.523 -0.876 1.446 0.00 0.00 -0.282 N ATOM 6 C LIG 1 3.449 -0.735 2.312 0.00 0.00 +0.248 C ATOM 7 O LIG 1 3.481 -0.560 3.514 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.234 -0.791 1.492 0.00 0.00 +0.042 A ATOM 9 C LIG 1 0.911 -0.739 1.891 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -0.060 -0.806 0.891 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.903 -0.680 1.877 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.953 -1.493 1.101 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.698 -2.467 0.397 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.257 -1.081 1.258 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.947 -1.619 0.750 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.691 0.135 1.725 0.00 0.00 +0.219 C ATOM 17 O LIG 1 9.862 0.479 1.595 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.668 0.995 2.426 0.00 0.00 +0.098 C ATOM 19 C LIG 1 6.283 0.801 1.832 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 O LIG 1 -0.678 -1.002 -1.396 0.00 0.00 -0.487 OA BRANCH 20 22 ATOM 21 C LIG 1 -1.810 1.230 -1.649 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -0.794 0.173 -2.221 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -1.205 -0.293 -3.620 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -1.234 0.859 -4.624 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -1.477 2.222 -3.977 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -2.410 2.111 -2.776 0.00 0.00 +0.022 C BRANCH 21 30 ATOM 27 C LIG 1 -6.158 0.693 -0.675 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -4.768 0.380 -0.115 0.00 0.00 +0.018 C ATOM 29 C LIG 1 -3.788 -0.220 -1.189 0.00 0.00 +0.097 C ATOM 30 N LIG 1 -2.751 0.678 -0.660 0.00 0.00 -0.294 NA ATOM 31 C LIG 1 -3.779 1.604 -0.163 0.00 0.00 +0.097 C BRANCH 28 32 ATOM 32 C LIG 1 -4.927 -0.399 1.292 0.00 0.00 -0.039 A ATOM 33 C LIG 1 -5.066 0.293 2.514 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.214 -0.372 3.736 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.234 -1.762 3.772 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.111 -2.481 2.589 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.963 -1.807 1.373 0.00 0.00 +0.004 A ENDBRANCH 28 32 ENDBRANCH 21 30 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 5