REMARK Name = BDB049606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.542 -0.323 0.376 0.00 0.00 +0.052 A ATOM 2 C LIG 1 1.809 -0.484 -1.022 0.00 0.00 +0.030 A ATOM 3 C LIG 1 0.766 0.123 -1.713 0.00 0.00 +0.142 A ATOM 4 N LIG 1 0.642 0.241 -3.051 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 1.634 -0.342 -3.758 0.00 0.00 +0.041 A ATOM 6 C LIG 1 2.716 -1.008 -3.186 0.00 0.00 +0.024 A ATOM 7 C LIG 1 1.531 -0.259 -5.254 0.00 0.00 +0.065 C ATOM 8 N LIG 1 -0.151 0.573 -0.793 0.00 0.00 -0.324 N ATOM 9 C LIG 1 2.816 -1.088 -1.797 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.327 0.353 0.487 0.00 0.00 +0.029 A ATOM 11 C LIG 1 -0.400 0.780 1.718 0.00 0.00 +0.064 C ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 2.339 -0.784 1.513 0.00 0.00 +0.195 C ATOM 13 O LIG 1 1.825 -1.251 2.527 0.00 0.00 -0.287 OA BRANCH 12 17 ATOM 14 C LIG 1 6.624 -0.511 1.413 0.00 0.00 +0.120 A ATOM 15 C LIG 1 5.854 0.484 0.807 0.00 0.00 +0.046 A ATOM 16 C LIG 1 4.457 0.407 0.833 0.00 0.00 +0.015 A ATOM 17 C LIG 1 3.821 -0.675 1.456 0.00 0.00 +0.023 A ATOM 18 C LIG 1 4.591 -1.659 2.081 0.00 0.00 +0.015 A ATOM 19 C LIG 1 5.985 -1.578 2.051 0.00 0.00 +0.046 A BRANCH 14 21 ATOM 20 C LIG 1 8.691 0.519 0.844 0.00 0.00 +0.277 C ATOM 21 O LIG 1 7.990 -0.556 1.457 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 12 17 ENDBRANCH 1 12 BRANCH 8 22 ATOM 22 C LIG 1 -1.404 1.227 -1.165 0.00 0.00 +0.161 C BRANCH 22 23 ATOM 23 C LIG 1 -2.624 0.443 -0.760 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -2.889 -0.814 -1.304 0.00 0.00 +0.128 A ATOM 25 F LIG 1 -2.062 -1.346 -2.212 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -4.018 -1.538 -0.932 0.00 0.00 +0.042 A ATOM 27 C LIG 1 -4.917 -1.007 -0.003 0.00 0.00 +0.048 A ATOM 28 C LIG 1 -4.686 0.254 0.544 0.00 0.00 +0.122 A ATOM 29 C LIG 1 -3.545 0.971 0.159 0.00 0.00 +0.054 A BRANCH 28 30 ATOM 30 O LIG 1 -5.473 0.903 1.454 0.00 0.00 -0.478 OA BRANCH 30 31 ATOM 31 C LIG 1 -6.675 0.275 1.887 0.00 0.00 +0.278 C ATOM 32 C LIG 1 -7.162 1.026 3.123 0.00 0.00 +0.064 C BRANCH 31 33 ATOM 33 C LIG 1 -7.795 0.281 0.849 0.00 0.00 +0.346 C ATOM 34 O LIG 1 -8.539 -0.656 0.601 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -7.936 1.453 0.197 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -8.667 1.297 -0.435 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 22 23 ENDBRANCH 8 22 TORSDOF 9