REMARK Name = BDB014919 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.479 5.247 1.617 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -3.882 4.460 0.566 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -3.296 4.969 -0.078 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -4.618 3.467 -0.032 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.963 2.801 -1.055 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.492 2.665 -1.119 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -2.126 1.235 -0.893 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.878 0.611 -0.632 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.033 -0.712 -0.516 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.351 -0.938 -0.676 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -3.043 0.202 -0.936 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.502 0.367 -1.187 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.725 1.773 -1.788 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -5.771 3.213 0.303 0.00 0.00 -0.253 OA ENDROOT BRANCH 10 15 ATOM 15 C LIG 1 -2.864 -2.298 -0.573 0.00 0.00 +0.112 C ATOM 16 C LIG 1 -2.462 -3.144 -1.790 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.380 -4.622 -1.437 0.00 0.00 +0.162 C ATOM 18 O LIG 1 -3.366 -4.935 -0.458 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 -3.062 -4.374 0.821 0.00 0.00 +0.162 C ATOM 20 C LIG 1 -2.449 -2.980 0.732 0.00 0.00 +0.055 C ENDBRANCH 10 15 BRANCH 8 21 ATOM 21 N LIG 1 0.275 1.312 -0.530 0.00 0.00 -0.296 N ATOM 22 H LIG 1 0.231 2.324 -0.596 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 1.610 0.900 -0.306 0.00 0.00 +0.069 A ATOM 24 C LIG 1 2.600 1.884 -0.186 0.00 0.00 +0.145 A ATOM 25 F LIG 1 2.250 3.178 -0.290 0.00 0.00 -0.204 F ATOM 26 C LIG 1 3.937 1.571 0.035 0.00 0.00 +0.049 A ATOM 27 C LIG 1 4.333 0.232 0.144 0.00 0.00 -0.004 A ATOM 28 C LIG 1 3.366 -0.786 0.038 0.00 0.00 +0.027 A ATOM 29 C LIG 1 2.017 -0.433 -0.193 0.00 0.00 +0.036 A BRANCH 27 30 ATOM 30 C LIG 1 5.735 -0.056 0.369 0.00 0.00 +0.020 A ATOM 31 C LIG 1 6.450 0.383 1.463 0.00 0.00 +0.116 A ATOM 32 N LIG 1 7.718 -0.097 1.302 0.00 0.00 -0.274 N ATOM 33 C LIG 1 8.840 0.094 2.188 0.00 0.00 +0.172 C ATOM 34 N LIG 1 7.877 -0.822 0.180 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 6.671 -0.788 -0.393 0.00 0.00 +0.142 A ENDBRANCH 27 30 BRANCH 28 36 ATOM 36 C LIG 1 3.729 -2.248 0.151 0.00 0.00 +0.372 C ATOM 37 F LIG 1 2.649 -3.065 0.320 0.00 0.00 -0.204 F ATOM 38 F LIG 1 4.361 -2.710 -0.964 0.00 0.00 -0.204 F ENDBRANCH 28 36 ENDBRANCH 21 23 ENDBRANCH 8 21 TORSDOF 5