REMARK Name = BDB037905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.129 -0.211 -1.018 0.00 0.00 +0.074 A ATOM 2 N LIG 1 3.089 1.123 -1.241 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 1.872 1.719 -1.276 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.639 1.075 -1.123 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.698 -0.309 -0.895 0.00 0.00 -0.006 A ATOM 6 C LIG 1 1.956 -0.945 -0.853 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 7.103 -1.920 -0.965 0.00 0.00 +0.158 A ATOM 8 C LIG 1 6.799 -0.801 -1.744 0.00 0.00 +0.166 A ATOM 9 F LIG 1 7.748 -0.232 -2.503 0.00 0.00 -0.202 F ATOM 10 C LIG 1 5.517 -0.250 -1.759 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.479 -0.806 -0.992 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.806 -1.925 -0.209 0.00 0.00 +0.136 A ATOM 13 F LIG 1 3.882 -2.502 0.575 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.091 -2.480 -0.191 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.739 -3.489 -0.235 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.394 -2.366 -1.037 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -0.595 1.757 -1.164 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -1.031 2.142 0.213 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -2.356 2.970 0.145 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -2.063 4.276 -0.638 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -0.908 4.171 -1.641 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -0.742 2.776 -2.221 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.377 2.134 -0.560 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -4.066 2.720 -1.032 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.892 1.597 -1.286 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -2.881 3.257 1.586 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -4.026 4.281 1.649 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -4.439 4.450 2.931 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -5.105 3.853 0.945 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -3.312 2.002 2.155 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -3.840 1.590 1.438 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.543 -1.156 -0.710 0.00 0.00 +0.140 C BRANCH 32 33 ATOM 33 N LIG 1 -0.613 -1.617 0.677 0.00 0.00 -0.325 N ATOM 34 H LIG 1 0.136 -2.285 0.858 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 C LIG 1 -1.768 -2.367 0.930 0.00 0.00 +0.121 A ATOM 36 N LIG 1 -1.562 -3.668 1.208 0.00 0.00 -0.240 NA ATOM 37 C LIG 1 -2.622 -4.473 1.479 0.00 0.00 +0.122 A ATOM 38 C LIG 1 -3.923 -3.963 1.475 0.00 0.00 +0.018 A ATOM 39 C LIG 1 -4.102 -2.611 1.193 0.00 0.00 +0.051 A ATOM 40 N LIG 1 -5.449 -2.348 1.272 0.00 0.00 -0.361 N ATOM 41 H LIG 1 -5.867 -1.437 1.132 0.00 0.00 +0.165 HD ATOM 42 C LIG 1 -6.133 -3.495 1.577 0.00 0.00 +0.083 A ATOM 43 C LIG 1 -5.214 -4.512 1.710 0.00 0.00 +0.029 A ATOM 44 C LIG 1 -3.026 -1.771 0.910 0.00 0.00 +0.069 A ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10