REMARK Name = BDB027041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.578 -0.355 -0.082 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.717 0.567 -0.894 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.760 0.639 -0.209 0.00 0.00 +0.032 A ATOM 4 C LIG 1 3.352 -0.268 0.787 0.00 0.00 +0.049 A ATOM 5 C LIG 1 1.993 -0.601 0.919 0.00 0.00 +0.049 A ATOM 6 C LIG 1 1.003 -0.070 0.098 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.257 -0.630 0.507 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.022 -1.463 1.577 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.402 0.838 -0.899 0.00 0.00 +0.012 A ATOM 10 N LIG 1 1.373 -1.444 1.807 0.00 0.00 -0.360 N ATOM 11 H LIG 1 1.852 -1.971 2.524 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.760 1.176 -1.032 0.00 0.00 +0.024 A BRANCH 3 17 ATOM 13 C LIG 1 9.079 1.859 0.050 0.00 0.00 +0.105 C ATOM 14 N LIG 1 7.978 1.637 -0.883 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 6.913 2.644 -0.679 0.00 0.00 +0.103 C ATOM 16 C LIG 1 5.506 2.179 -1.121 0.00 0.00 +0.120 C ATOM 17 N LIG 1 5.095 0.991 -0.354 0.00 0.00 -0.327 N ATOM 18 C LIG 1 6.175 0.090 0.083 0.00 0.00 +0.120 C ATOM 19 C LIG 1 7.443 0.263 -0.788 0.00 0.00 +0.103 C ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.812 -1.192 0.381 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.672 -2.671 0.052 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.866 -3.641 1.048 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.741 -5.000 0.752 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.429 -5.405 -0.544 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.251 -4.454 -1.547 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.376 -3.096 -1.253 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -4.039 -0.643 -0.254 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -3.901 0.364 -0.381 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -5.246 -0.888 0.537 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -6.491 -0.272 -0.123 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -6.513 1.239 -0.076 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -6.059 1.989 -1.172 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -6.062 3.384 -1.121 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -6.518 4.027 0.022 0.00 0.00 +0.123 A ATOM 35 F LIG 1 -6.522 5.365 0.071 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -6.971 3.302 1.119 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -6.967 1.907 1.072 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 8