REMARK Name = BDB046438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.414 -0.816 0.616 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.423 -1.284 -0.294 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -1.805 -1.472 -1.020 0.00 0.00 -0.005 A ATOM 4 C LIG 1 -0.872 -0.864 -0.160 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -1.310 0.107 0.743 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.660 0.468 0.807 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -3.604 -0.134 -0.033 0.00 0.00 -0.044 A ATOM 8 C LIG 1 -3.162 -1.103 -0.942 0.00 0.00 +0.011 A BRANCH 7 9 ATOM 9 C LIG 1 -5.082 0.243 0.024 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -5.286 1.720 -0.401 0.00 0.00 +0.008 C ATOM 11 C LIG 1 -5.740 2.669 0.708 0.00 0.00 +0.001 C ATOM 12 C LIG 1 -7.192 2.492 1.168 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -7.849 1.151 0.858 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -7.187 -0.062 1.501 0.00 0.00 +0.001 C ATOM 15 C LIG 1 -5.665 -0.144 1.397 0.00 0.00 +0.008 C ENDBRANCH 7 9 BRANCH 3 16 ATOM 16 C LIG 1 -1.399 -2.532 -2.022 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 17 C LIG 1 -0.848 -4.422 -0.397 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -1.709 -3.960 -1.564 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 2.051 0.485 0.139 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 2.623 0.359 -1.272 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 3.281 1.569 -1.654 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 4.610 1.717 -1.371 0.00 0.00 +0.121 A ATOM 23 C LIG 1 5.395 0.857 -0.598 0.00 0.00 +0.057 A ATOM 24 C LIG 1 6.760 1.120 -0.368 0.00 0.00 +0.026 A ATOM 25 C LIG 1 7.315 2.278 -0.930 0.00 0.00 +0.012 A ATOM 26 C LIG 1 6.537 3.144 -1.699 0.00 0.00 +0.004 A ATOM 27 C LIG 1 5.190 2.863 -1.915 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 C LIG 1 7.558 0.202 0.461 0.00 0.00 +0.200 A ATOM 29 C LIG 1 8.877 0.080 0.612 0.00 0.00 +0.240 A ATOM 30 N LIG 1 9.094 -0.917 1.480 0.00 0.00 -0.259 N ATOM 31 H LIG 1 9.965 -1.282 1.827 0.00 0.00 +0.175 HD ATOM 32 C LIG 1 7.882 -1.425 1.876 0.00 0.00 +0.421 A ATOM 33 O LIG 1 7.729 -2.345 2.665 0.00 0.00 -0.223 OA ATOM 34 O LIG 1 6.852 -0.744 1.250 0.00 0.00 -0.404 OA BRANCH 29 35 ATOM 35 O LIG 1 9.899 0.756 0.050 0.00 0.00 -0.491 OA ATOM 36 H LIG 1 10.723 0.356 0.371 0.00 0.00 +0.294 HD ENDBRANCH 29 35 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11