REMARK Name = BDB027190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.299 0.629 1.281 0.00 0.00 +0.071 A ATOM 2 N LIG 1 1.587 -0.642 1.633 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.668 -1.599 1.353 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.569 -1.387 0.737 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.861 -0.056 0.398 0.00 0.00 -0.003 A ATOM 6 C LIG 1 0.087 0.950 0.676 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.363 3.545 2.169 0.00 0.00 +0.155 A ATOM 8 C LIG 1 4.145 2.442 2.997 0.00 0.00 +0.165 A ATOM 9 F LIG 1 4.891 2.271 4.100 0.00 0.00 -0.202 F ATOM 10 C LIG 1 3.159 1.499 2.711 0.00 0.00 +0.052 A ATOM 11 C LIG 1 2.342 1.631 1.577 0.00 0.00 +0.003 A ATOM 12 C LIG 1 2.573 2.741 0.743 0.00 0.00 +0.014 A ATOM 13 C LIG 1 3.568 3.687 1.033 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 5.633 5.507 1.713 0.00 0.00 +0.277 C ATOM 15 O LIG 1 5.358 4.399 2.559 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -1.484 -2.416 0.472 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -2.561 -2.552 1.486 0.00 0.00 +0.126 C ATOM 18 C LIG 1 -2.672 -3.978 2.062 0.00 0.00 +0.102 C ATOM 19 C LIG 1 -2.779 -5.013 0.920 0.00 0.00 +0.186 C ATOM 20 F LIG 1 -2.247 -6.196 1.360 0.00 0.00 -0.244 F ATOM 21 C LIG 1 -2.071 -4.625 -0.372 0.00 0.00 +0.057 C ATOM 22 C LIG 1 -0.933 -3.653 -0.103 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 N LIG 1 -1.584 -4.279 3.020 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 -0.688 -3.997 2.630 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -1.530 -5.297 3.122 0.00 0.00 +0.119 HD ENDBRANCH 18 23 ENDBRANCH 4 16 BRANCH 5 26 ATOM 26 C LIG 1 -2.119 0.338 -0.336 0.00 0.00 +0.161 C BRANCH 26 27 ATOM 27 N LIG 1 -1.901 0.364 -1.769 0.00 0.00 -0.310 N ATOM 28 C LIG 1 -1.574 1.460 -2.518 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -1.509 0.990 -3.821 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -1.177 1.928 -4.812 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -0.971 3.213 -4.443 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -1.067 3.527 -3.133 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -1.814 -0.357 -3.875 0.00 0.00 -0.231 NA ATOM 34 N LIG 1 -1.361 2.718 -2.095 0.00 0.00 -0.216 NA ATOM 35 C LIG 1 -2.038 -0.698 -2.623 0.00 0.00 +0.202 A BRANCH 30 36 ATOM 36 N LIG 1 -1.072 1.607 -6.159 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -1.553 0.750 -6.408 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -1.199 2.412 -6.757 0.00 0.00 +0.144 HD ENDBRANCH 30 36 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7