REMARK Name = BDB058257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.933 1.030 0.663 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.097 1.478 1.690 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.752 1.685 1.415 0.00 0.00 -0.040 A ATOM 4 C LIG 1 2.684 2.124 2.371 0.00 0.00 +0.038 C ATOM 5 C LIG 1 1.565 2.559 1.409 0.00 0.00 +0.045 C ATOM 6 C LIG 1 1.746 1.714 0.140 0.00 0.00 +0.138 C ATOM 7 C LIG 1 0.857 0.463 0.145 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.861 -0.437 0.975 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 0.035 0.533 -0.948 0.00 0.00 -0.215 N ATOM 10 C LIG 1 0.265 1.670 -1.657 0.00 0.00 +0.310 C ATOM 11 O LIG 1 -0.297 2.033 -2.677 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 1.284 2.367 -1.052 0.00 0.00 -0.281 N ATOM 13 H LIG 1 1.623 3.245 -1.418 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 3.219 1.433 0.146 0.00 0.00 -0.012 A ATOM 15 C LIG 1 4.030 0.975 -0.879 0.00 0.00 +0.008 A ATOM 16 C LIG 1 5.390 0.776 -0.613 0.00 0.00 +0.024 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 10.338 0.792 2.814 0.00 0.00 +0.129 C ATOM 18 N LIG 1 9.373 0.609 1.757 0.00 0.00 -0.302 N ATOM 19 H LIG 1 9.420 -0.270 1.265 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 8.091 1.105 1.923 0.00 0.00 +0.304 C ATOM 21 N LIG 1 7.310 0.785 0.834 0.00 0.00 -0.269 N ATOM 22 H LIG 1 7.822 0.488 0.017 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 7.755 1.744 2.910 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 9 24 ATOM 24 C LIG 1 -1.033 -0.403 -1.218 0.00 0.00 +0.213 C BRANCH 24 25 ATOM 25 C LIG 1 -2.272 -0.008 -0.399 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.353 -0.899 -0.359 0.00 0.00 -0.289 N ATOM 27 C LIG 1 -3.282 -2.299 -0.825 0.00 0.00 +0.117 C ATOM 28 C LIG 1 -4.361 -3.243 -0.244 0.00 0.00 +0.251 C ATOM 29 O LIG 1 -5.696 -3.075 -0.704 0.00 0.00 -0.490 OA ATOM 30 C LIG 1 -6.318 -1.866 -0.638 0.00 0.00 +0.125 A ATOM 31 C LIG 1 -5.808 -0.669 -0.127 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -6.611 0.489 -0.204 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -7.882 0.442 -0.764 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -8.392 -0.744 -1.260 0.00 0.00 +0.042 A ATOM 35 F LIG 1 -8.622 1.556 -0.821 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -7.608 -1.893 -1.196 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -4.460 -0.542 0.523 0.00 0.00 +0.147 C ATOM 38 O LIG 1 -2.305 1.075 0.195 0.00 0.00 -0.274 OA BRANCH 27 39 ATOM 39 C LIG 1 -3.084 -2.405 -2.329 0.00 0.00 +0.013 C ATOM 40 C LIG 1 -4.123 -2.865 -3.330 0.00 0.00 +0.006 C ATOM 41 C LIG 1 -3.727 -1.421 -3.285 0.00 0.00 +0.006 C ENDBRANCH 27 39 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 4