REMARK Name = BDB047801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.163 1.439 0.029 0.00 0.00 -0.010 A ATOM 2 C LIG 1 1.698 0.152 0.402 0.00 0.00 -0.010 A ATOM 3 C LIG 1 0.331 -0.014 0.712 0.00 0.00 +0.016 A ATOM 4 C LIG 1 -0.574 1.056 0.671 0.00 0.00 -0.010 A ATOM 5 C LIG 1 -0.109 2.315 0.290 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.239 2.502 -0.021 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 6.257 2.257 -1.010 0.00 0.00 +0.120 A ATOM 8 C LIG 1 5.694 2.823 0.132 0.00 0.00 +0.046 A ATOM 9 C LIG 1 4.360 2.553 0.466 0.00 0.00 +0.012 A ATOM 10 C LIG 1 3.567 1.713 -0.331 0.00 0.00 -0.017 A ATOM 11 C LIG 1 4.144 1.156 -1.480 0.00 0.00 +0.012 A ATOM 12 C LIG 1 5.476 1.424 -1.812 0.00 0.00 +0.046 A BRANCH 7 14 ATOM 13 C LIG 1 8.377 3.275 -0.665 0.00 0.00 +0.277 C ATOM 14 O LIG 1 7.540 2.436 -1.450 0.00 0.00 -0.495 OA ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 2 15 ATOM 15 C LIG 1 2.583 -1.026 0.488 0.00 0.00 -0.017 A ATOM 16 C LIG 1 2.412 -2.115 -0.380 0.00 0.00 +0.012 A ATOM 17 C LIG 1 3.248 -3.232 -0.298 0.00 0.00 +0.046 A ATOM 18 C LIG 1 4.270 -3.289 0.650 0.00 0.00 +0.120 A ATOM 19 C LIG 1 4.447 -2.217 1.523 0.00 0.00 +0.046 A ATOM 20 C LIG 1 3.607 -1.099 1.443 0.00 0.00 +0.012 A BRANCH 18 21 ATOM 21 O LIG 1 5.015 -4.436 0.621 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 6.107 -4.513 1.528 0.00 0.00 +0.277 C ENDBRANCH 18 21 ENDBRANCH 2 15 BRANCH 4 23 ATOM 23 C LIG 1 -2.032 0.838 0.991 0.00 0.00 +0.264 C BRANCH 23 24 ATOM 24 O LIG 1 -2.697 0.480 -0.217 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 -4.039 0.234 -0.144 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -4.829 0.295 1.003 0.00 0.00 +0.052 A ATOM 27 C LIG 1 -6.207 0.016 0.941 0.00 0.00 -0.005 A ATOM 28 C LIG 1 -7.035 0.090 2.196 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -6.795 -0.329 -0.290 0.00 0.00 +0.124 A ATOM 30 C LIG 1 -6.000 -0.390 -1.435 0.00 0.00 +0.049 A ATOM 31 C LIG 1 -4.632 -0.110 -1.358 0.00 0.00 +0.049 A BRANCH 29 32 ATOM 32 O LIG 1 -8.141 -0.584 -0.255 0.00 0.00 -0.481 OA BRANCH 32 33 ATOM 33 C LIG 1 -8.770 -0.936 -1.491 0.00 0.00 +0.349 C BRANCH 33 34 ATOM 34 C LIG 1 -10.248 -1.171 -1.227 0.00 0.00 +0.343 C ATOM 35 O LIG 1 -11.055 -1.484 -2.090 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 -10.597 -1.001 0.072 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 -9.799 -0.753 0.591 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 11