REMARK Name = BDB024909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.403 1.114 -1.095 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.501 0.045 -0.946 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.038 -1.322 -0.785 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.319 -1.632 0.691 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.150 -2.366 -1.453 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.755 -2.328 -0.874 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.214 -0.926 -0.842 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.815 -0.735 -0.748 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.827 -1.679 -0.687 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.321 -1.024 -0.579 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.106 0.342 -0.631 0.00 0.00 -0.322 N ATOM 12 C LIG 1 1.269 0.537 -0.701 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.076 1.674 -0.723 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.464 1.482 -0.804 0.00 0.00 +0.026 A ATOM 15 C LIG 1 4.062 0.212 -0.870 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.124 2.284 -1.332 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.059 1.451 -0.616 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.587 1.774 0.788 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.476 3.029 0.787 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.583 2.937 -0.269 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.023 2.647 -1.659 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.177 1.374 -1.665 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.099 3.250 2.155 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.282 2.381 2.992 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.465 4.536 2.366 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.277 5.138 1.623 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.670 1.759 -1.104 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.706 0.715 -0.955 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.635 -1.759 -0.447 0.00 0.00 +0.214 C BRANCH 29 30 ATOM 30 C LIG 1 -2.187 -1.812 0.958 0.00 0.00 +0.033 A ATOM 31 C LIG 1 -3.490 -1.376 1.255 0.00 0.00 +0.127 A ATOM 32 C LIG 1 -3.963 -1.379 2.573 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -3.164 -1.874 3.601 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -1.892 -2.347 3.309 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -1.122 -2.822 4.297 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -1.400 -2.320 2.009 0.00 0.00 +0.048 A BRANCH 31 37 ATOM 37 O LIG 1 -4.240 -0.836 0.244 0.00 0.00 -0.489 OA BRANCH 37 38 ATOM 38 C LIG 1 -5.527 -1.454 0.077 0.00 0.00 +0.167 C ATOM 39 C LIG 1 -5.550 -2.104 -1.302 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -6.585 -0.361 0.173 0.00 0.00 +0.051 C ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 29 30 BRANCH 29 41 ATOM 41 O LIG 1 -1.386 -3.122 -0.843 0.00 0.00 -0.379 OA ATOM 42 H LIG 1 -0.419 -3.170 -0.990 0.00 0.00 +0.211 HD ENDBRANCH 29 41 ENDBRANCH 10 29 TORSDOF 9