REMARK Name = BDB027353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.293 -0.232 -0.899 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.361 -0.862 -0.063 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.686 -2.147 0.377 0.00 0.00 +0.134 A ATOM 4 N LIG 1 1.815 -2.821 0.051 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 2.700 -2.212 -0.773 0.00 0.00 +0.074 A ATOM 6 C LIG 1 2.470 -0.921 -1.250 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.908 -3.000 -1.091 0.00 0.00 +0.039 A ATOM 8 C LIG 1 4.588 -2.887 -2.316 0.00 0.00 +0.170 A ATOM 9 F LIG 1 4.144 -2.047 -3.265 0.00 0.00 -0.202 F ATOM 10 C LIG 1 5.724 -3.645 -2.590 0.00 0.00 +0.194 A ATOM 11 F LIG 1 6.349 -3.508 -3.769 0.00 0.00 -0.199 F ATOM 12 C LIG 1 6.208 -4.540 -1.649 0.00 0.00 +0.161 A ATOM 13 F LIG 1 7.301 -5.270 -1.909 0.00 0.00 -0.202 F ATOM 14 C LIG 1 5.563 -4.689 -0.429 0.00 0.00 +0.042 A ATOM 15 C LIG 1 4.422 -3.927 -0.156 0.00 0.00 +0.016 A ENDBRANCH 5 7 BRANCH 2 16 ATOM 16 N LIG 1 -0.830 -0.201 0.292 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -2.035 -0.873 -0.266 0.00 0.00 +0.129 C ATOM 18 C LIG 1 -3.321 -0.089 0.147 0.00 0.00 +0.064 C ATOM 19 C LIG 1 -3.433 -0.121 1.698 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.118 -0.452 2.413 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -0.899 0.154 1.729 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 N LIG 1 -3.185 1.330 -0.269 0.00 0.00 -0.321 NA ATOM 23 H LIG 1 -3.177 1.394 -1.289 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -2.233 1.639 -0.022 0.00 0.00 +0.119 HD ENDBRANCH 18 22 BRANCH 18 25 ATOM 25 C LIG 1 -4.561 -0.746 -0.530 0.00 0.00 +0.202 C BRANCH 25 26 ATOM 26 C LIG 1 -5.883 -0.021 -0.250 0.00 0.00 +0.371 C ATOM 27 F LIG 1 -5.996 1.092 -1.015 0.00 0.00 -0.206 F ATOM 28 F LIG 1 -6.899 -0.845 -0.652 0.00 0.00 -0.206 F ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 O LIG 1 -4.655 -2.131 -0.137 0.00 0.00 -0.384 OA ATOM 30 H LIG 1 -5.517 -2.451 -0.470 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 18 25 ENDBRANCH 2 16 BRANCH 1 31 ATOM 31 C LIG 1 1.069 1.168 -1.420 0.00 0.00 +0.161 C BRANCH 31 36 ATOM 32 C LIG 1 0.355 4.966 1.501 0.00 0.00 +0.147 A ATOM 33 C LIG 1 1.058 3.887 0.939 0.00 0.00 +0.147 A ATOM 34 N LIG 1 2.320 3.378 1.168 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 2.424 2.358 0.342 0.00 0.00 +0.202 A ATOM 36 N LIG 1 1.286 2.179 -0.402 0.00 0.00 -0.310 N ATOM 37 C LIG 1 0.408 3.169 -0.052 0.00 0.00 +0.166 A ATOM 38 N LIG 1 -0.820 3.399 -0.546 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -1.393 4.459 0.060 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -0.882 5.246 1.032 0.00 0.00 -0.219 NA BRANCH 32 41 ATOM 41 N LIG 1 0.876 5.774 2.504 0.00 0.00 -0.341 N ATOM 42 H LIG 1 0.432 6.682 2.526 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 1.888 5.740 2.559 0.00 0.00 +0.144 HD ENDBRANCH 32 41 ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 9