REMARK Name = BDB000476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.039 0.102 1.899 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 1.060 1.058 1.629 0.00 0.00 -0.488 OA BRANCH 2 6 ATOM 3 C LIG 1 5.005 -0.238 0.994 0.00 0.00 +0.011 A ATOM 4 C LIG 1 4.543 1.013 0.543 0.00 0.00 +0.060 A ATOM 5 C LIG 1 3.224 1.431 0.762 0.00 0.00 +0.162 A ATOM 6 C LIG 1 2.332 0.580 1.438 0.00 0.00 +0.162 A ATOM 7 C LIG 1 2.779 -0.659 1.899 0.00 0.00 +0.050 A ATOM 8 C LIG 1 4.101 -1.064 1.676 0.00 0.00 +0.014 A BRANCH 3 11 ATOM 9 C LIG 1 8.503 -0.445 -0.039 0.00 0.00 +0.049 A ATOM 10 N LIG 1 7.258 0.154 0.059 0.00 0.00 -0.244 NA ATOM 11 C LIG 1 6.412 -0.611 0.726 0.00 0.00 +0.109 A ATOM 12 S LIG 1 7.093 -2.101 1.269 0.00 0.00 -0.075 S ATOM 13 C LIG 1 8.594 -1.681 0.566 0.00 0.00 +0.070 A BRANCH 9 15 ATOM 14 C LIG 1 9.540 0.030 -2.264 0.00 0.00 +0.010 C ATOM 15 C LIG 1 9.589 0.277 -0.765 0.00 0.00 +0.052 C ENDBRANCH 9 15 ENDBRANCH 3 11 BRANCH 5 16 ATOM 16 O LIG 1 2.708 2.633 0.344 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 3.600 3.551 -0.273 0.00 0.00 +0.277 C ENDBRANCH 5 16 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.319 0.785 1.788 0.00 0.00 +0.082 C BRANCH 18 19 ATOM 19 C LIG 1 -1.540 1.404 0.409 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 -2.865 1.933 0.309 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 -3.870 1.118 -0.135 0.00 0.00 +0.121 A ATOM 22 C LIG 1 -3.764 -0.247 -0.413 0.00 0.00 +0.049 A ATOM 23 C LIG 1 -4.892 -0.923 -0.860 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -5.014 -2.378 -1.182 0.00 0.00 +0.036 C ATOM 25 C LIG 1 -6.312 -2.389 -2.000 0.00 0.00 +0.013 C ATOM 26 C LIG 1 -7.187 -1.224 -1.480 0.00 0.00 +0.030 C ATOM 27 C LIG 1 -6.120 -0.271 -1.014 0.00 0.00 -0.040 A ATOM 28 C LIG 1 -6.242 1.078 -0.731 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -5.108 1.767 -0.293 0.00 0.00 +0.046 A BRANCH 26 30 ATOM 30 C LIG 1 -8.121 -1.669 -0.355 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 -9.175 -0.630 -0.065 0.00 0.00 +0.305 C ATOM 32 O LIG 1 -9.177 0.095 0.917 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 -10.148 -0.574 -1.004 0.00 0.00 -0.481 OA ATOM 34 H LIG 1 -10.047 -1.218 -1.729 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 12