REMARK Name = BDB034257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.631 0.707 -0.203 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.729 -0.078 -0.424 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -2.898 0.402 0.186 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -4.075 -0.308 0.027 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -5.443 -0.018 0.547 0.00 0.00 +0.144 C ATOM 6 N LIG 1 -6.206 -1.175 0.094 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -5.457 -2.004 -0.730 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -5.829 -2.986 -1.343 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -4.089 -1.473 -0.732 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -2.961 -1.969 -1.354 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -1.767 -1.256 -1.194 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 -7.661 -1.250 0.145 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -8.331 -0.250 -0.813 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -7.740 0.386 -1.682 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -9.686 -0.087 -0.635 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -10.115 0.586 -1.257 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -10.371 -0.301 0.534 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -11.466 0.217 0.730 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -9.717 -1.215 1.543 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -8.207 -1.030 1.552 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 1.716 0.858 0.343 0.00 0.00 +0.097 C ATOM 22 C LIG 1 0.667 0.261 -0.648 0.00 0.00 +0.190 C ATOM 23 C LIG 1 0.894 0.736 -2.090 0.00 0.00 +0.046 C ATOM 24 C LIG 1 0.925 2.260 -2.195 0.00 0.00 +0.004 C ATOM 25 C LIG 1 1.946 2.894 -1.258 0.00 0.00 +0.002 C ATOM 26 C LIG 1 1.811 2.394 0.177 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 4.840 0.998 0.423 0.00 0.00 +0.047 C ATOM 28 C LIG 1 3.975 0.246 -0.616 0.00 0.00 +0.094 C ATOM 29 N LIG 1 2.937 0.023 0.393 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 3.858 0.422 1.473 0.00 0.00 +0.094 C BRANCH 27 33 ATOM 31 C LIG 1 8.239 -0.958 0.786 0.00 0.00 +0.120 A ATOM 32 C LIG 1 6.875 -0.657 0.686 0.00 0.00 +0.049 A ATOM 33 C LIG 1 6.390 0.660 0.537 0.00 0.00 -0.038 A ATOM 34 C LIG 1 7.366 1.673 0.494 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.731 1.392 0.592 0.00 0.00 +0.004 A ATOM 36 C LIG 1 9.168 0.076 0.739 0.00 0.00 +0.045 A BRANCH 31 38 ATOM 37 C LIG 1 9.893 -2.647 1.032 0.00 0.00 +0.277 C ATOM 38 O LIG 1 8.521 -2.289 0.925 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 27 33 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6