REMARK Name = BDB000489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.651 1.598 0.011 0.00 0.00 -0.488 OA ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.600 0.247 -0.398 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -1.893 1.160 0.392 0.00 0.00 +0.162 A ATOM 4 C LIG 1 -2.461 1.703 1.543 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -3.739 1.304 1.942 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -4.465 0.365 1.192 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -3.876 -0.149 0.017 0.00 0.00 +0.060 A BRANCH 6 8 ATOM 8 C LIG 1 -5.820 -0.101 1.562 0.00 0.00 +0.113 A ATOM 9 S LIG 1 -6.550 0.295 3.081 0.00 0.00 -0.068 S ATOM 10 C LIG 1 -7.927 -0.599 2.646 0.00 0.00 +0.053 A ATOM 11 C LIG 1 -9.116 -0.764 3.516 0.00 0.00 +0.051 C ATOM 12 C LIG 1 -9.987 -1.877 2.931 0.00 0.00 +0.046 C ATOM 13 C LIG 1 -10.022 -1.761 1.405 0.00 0.00 +0.231 C ATOM 14 O LIG 1 -8.726 -1.901 0.804 0.00 0.00 -0.476 OA ATOM 15 C LIG 1 -7.775 -1.127 1.384 0.00 0.00 +0.226 A ATOM 16 N LIG 1 -6.568 -0.864 0.784 0.00 0.00 -0.205 NA ENDBRANCH 6 8 BRANCH 2 18 ATOM 17 C LIG 1 -2.704 -1.038 -2.403 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -1.964 -0.198 -1.527 0.00 0.00 -0.491 OA ENDBRANCH 2 18 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 0.384 0.839 0.645 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 C LIG 1 1.187 0.056 -0.387 0.00 0.00 +0.082 C BRANCH 20 21 ATOM 21 C LIG 1 1.697 0.938 -1.524 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 2.495 0.148 -2.418 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 3.839 0.179 -2.161 0.00 0.00 +0.121 A ATOM 24 C LIG 1 4.570 1.366 -2.092 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.935 1.284 -1.865 0.00 0.00 -0.040 A ATOM 26 C LIG 1 6.902 2.415 -1.704 0.00 0.00 +0.036 C ATOM 27 C LIG 1 8.251 1.691 -1.841 0.00 0.00 +0.013 C ATOM 28 C LIG 1 8.033 0.219 -1.427 0.00 0.00 +0.030 C ATOM 29 C LIG 1 6.568 0.045 -1.714 0.00 0.00 -0.040 A ATOM 30 C LIG 1 5.855 -1.139 -1.815 0.00 0.00 +0.008 A ATOM 31 C LIG 1 4.480 -1.064 -2.050 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 8.411 -0.111 0.016 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 7.860 0.832 1.058 0.00 0.00 +0.305 C ATOM 34 O LIG 1 8.518 1.723 1.576 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 6.570 0.606 1.384 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 6.137 -0.080 0.838 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11