REMARK Name = BDB040334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.712 -1.292 0.382 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.223 -2.065 -0.314 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.130 -3.161 -0.836 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.474 -1.297 -0.345 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.685 -1.648 -0.915 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.746 -0.739 -0.812 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.547 0.489 -0.133 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.307 0.831 0.440 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.272 -0.091 0.315 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.139 -0.016 0.801 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.268 -1.022 1.620 0.00 0.00 -0.039 A ATOM 12 C LIG 1 2.908 -0.748 1.334 0.00 0.00 +0.027 A ATOM 13 C LIG 1 2.057 -1.650 0.672 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.588 -2.889 0.313 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.918 -3.207 0.593 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.744 -2.284 1.231 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.217 0.087 2.309 0.00 0.00 +0.005 C ATOM 18 C LIG 1 6.274 -0.455 3.340 0.00 0.00 +0.030 C ATOM 19 C LIG 1 5.981 0.774 4.235 0.00 0.00 +0.093 C ATOM 20 C LIG 1 4.606 0.861 3.540 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 5.959 0.517 5.657 0.00 0.00 +0.066 C ATOM 22 N LIG 1 5.953 0.303 6.797 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 5.870 0.966 1.212 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 5.127 0.476 -1.786 0.00 0.00 +0.151 C ATOM 25 N LIG 1 4.554 1.465 -0.914 0.00 0.00 -0.320 N ATOM 26 C LIG 1 4.866 1.713 0.399 0.00 0.00 +0.134 A ATOM 27 N LIG 1 4.101 2.696 0.828 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 3.273 3.079 -0.198 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 3.561 2.336 -1.239 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -2.099 2.144 1.147 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -3.234 2.884 1.280 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.202 2.937 0.502 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.612 1.976 2.407 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.101 -1.067 -1.403 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.482 -0.064 -2.397 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -4.816 -0.104 -3.169 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.891 -0.183 -2.820 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.203 1.071 -3.693 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.631 1.813 -2.411 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.822 0.438 -1.740 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -7.267 -1.510 -3.444 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9