REMARK Name = BDB025052 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.772 -0.741 -1.142 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.527 -1.219 -0.696 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.422 -2.626 -0.256 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.132 -3.552 -1.444 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.425 -2.796 0.887 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.053 -2.319 0.470 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.116 -0.948 -0.140 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.943 -0.158 -0.172 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.692 -0.463 0.300 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.072 0.582 0.047 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.663 1.583 -0.561 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -1.953 1.109 -0.730 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -3.104 1.647 -1.302 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -4.263 0.856 -1.280 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -4.310 -0.427 -0.708 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.048 0.409 -1.464 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.221 2.918 -0.961 0.00 0.00 +0.115 C ATOM 18 C LIG 1 0.430 3.734 0.171 0.00 0.00 +0.184 C ATOM 19 O LIG 1 1.848 3.772 0.032 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 2.281 4.465 -1.141 0.00 0.00 +0.160 C ATOM 21 C LIG 1 1.414 4.191 -2.370 0.00 0.00 +0.030 C ATOM 22 C LIG 1 0.635 2.890 -2.236 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 -9.009 -1.300 -1.628 0.00 0.00 +0.282 C ATOM 24 O LIG 1 -7.721 -1.728 -1.182 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 1.528 0.658 0.402 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 2.202 -0.728 0.409 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 3.587 -0.662 1.037 0.00 0.00 -0.033 A ATOM 28 C LIG 1 4.612 0.114 0.484 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.871 0.167 1.093 0.00 0.00 +0.004 A ATOM 30 C LIG 1 6.163 -0.543 2.270 0.00 0.00 -0.044 A ATOM 31 C LIG 1 5.124 -1.324 2.803 0.00 0.00 +0.004 A ATOM 32 C LIG 1 3.861 -1.387 2.203 0.00 0.00 +0.005 A BRANCH 30 33 ATOM 33 C LIG 1 7.542 -0.437 2.895 0.00 0.00 +0.019 C ATOM 34 C LIG 1 7.732 -0.507 4.392 0.00 0.00 +0.009 C ATOM 35 C LIG 1 8.209 -1.636 3.524 0.00 0.00 +0.009 C ENDBRANCH 30 33 ENDBRANCH 26 27 BRANCH 26 36 ATOM 36 C LIG 1 2.263 -1.285 -1.002 0.00 0.00 +0.313 C ATOM 37 O LIG 1 2.291 -0.646 -2.044 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 2.334 -2.634 -1.036 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 2.377 -2.843 -1.991 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 26 36 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 8