REMARK Name = BDB046431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.456 1.768 2.879 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.657 0.534 2.192 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -1.643 -0.778 0.512 0.00 0.00 -0.005 A ATOM 4 C LIG 1 -1.631 0.427 1.239 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -2.585 1.404 0.953 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -3.539 1.199 -0.050 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -3.564 0.011 -0.787 0.00 0.00 -0.044 A ATOM 8 C LIG 1 -2.604 -0.969 -0.497 0.00 0.00 +0.011 A BRANCH 7 9 ATOM 9 C LIG 1 -4.580 -0.234 -1.891 0.00 0.00 +0.020 C ATOM 10 C LIG 1 -4.256 0.623 -3.130 0.00 0.00 +0.015 C ATOM 11 C LIG 1 -5.427 0.663 -4.102 0.00 0.00 +0.075 C ATOM 12 C LIG 1 -6.640 1.272 -3.432 0.00 0.00 +0.133 C ATOM 13 O LIG 1 -7.531 1.809 -4.090 0.00 0.00 -0.297 OA ATOM 14 C LIG 1 -6.710 1.200 -1.922 0.00 0.00 +0.075 C ATOM 15 C LIG 1 -6.043 -0.075 -1.418 0.00 0.00 +0.015 C ENDBRANCH 7 9 BRANCH 3 16 ATOM 16 C LIG 1 -0.622 -1.868 0.763 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 17 C LIG 1 1.642 -2.790 0.140 0.00 0.00 +0.004 C ATOM 18 C LIG 1 0.584 -1.743 -0.171 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 0.355 2.769 2.052 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.654 2.169 1.519 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.474 1.786 2.623 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.486 0.901 2.365 0.00 0.00 +0.121 A ATOM 23 C LIG 1 3.949 0.532 1.099 0.00 0.00 +0.057 A ATOM 24 C LIG 1 4.988 -0.406 0.947 0.00 0.00 +0.026 A ATOM 25 C LIG 1 5.559 -0.954 2.104 0.00 0.00 +0.012 A ATOM 26 C LIG 1 5.115 -0.575 3.372 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.082 0.351 3.498 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 C LIG 1 5.428 -0.806 -0.399 0.00 0.00 +0.200 A ATOM 29 C LIG 1 6.530 -1.434 -0.810 0.00 0.00 +0.240 A ATOM 30 N LIG 1 6.450 -1.561 -2.141 0.00 0.00 -0.259 N ATOM 31 H LIG 1 7.100 -1.985 -2.780 0.00 0.00 +0.175 HD ATOM 32 C LIG 1 5.271 -1.000 -2.565 0.00 0.00 +0.421 A ATOM 33 O LIG 1 4.893 -0.952 -3.725 0.00 0.00 -0.223 OA ATOM 34 O LIG 1 4.569 -0.492 -1.484 0.00 0.00 -0.404 OA BRANCH 29 35 ATOM 35 O LIG 1 7.595 -1.895 -0.122 0.00 0.00 -0.491 OA ATOM 36 H LIG 1 8.220 -2.258 -0.768 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