REMARK Name = BDB000499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.010 -0.542 -0.834 0.00 0.00 -0.005 A ATOM 2 C LIG 1 -1.988 -0.545 0.129 0.00 0.00 +0.124 A ATOM 3 C LIG 1 -2.290 -0.198 1.447 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -3.598 0.153 1.813 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -4.636 0.168 0.872 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -4.318 -0.186 -0.450 0.00 0.00 +0.017 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -6.034 0.525 1.198 0.00 0.00 +0.109 A ATOM 8 S LIG 1 -6.489 1.139 2.742 0.00 0.00 -0.060 S ATOM 9 C LIG 1 -8.121 1.259 2.243 0.00 0.00 +0.121 A ATOM 10 CA LIG 1 -8.232 0.830 0.932 0.00 0.00 +0.088 A ATOM 11 N LIG 1 -7.037 0.416 0.346 0.00 0.00 -0.241 NA BRANCH 9 12 ATOM 12 C LIG 1 -9.175 1.740 3.098 0.00 0.00 +0.345 C ATOM 13 O LIG 1 -10.358 1.851 2.811 0.00 0.00 -0.244 OA BRANCH 12 14 ATOM 14 O LIG 1 -8.750 2.088 4.332 0.00 0.00 -0.477 OA ATOM 15 H LIG 1 -9.566 2.388 4.783 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 9 12 BRANCH 10 16 ATOM 16 C LIG 1 -9.478 0.767 0.101 0.00 0.00 +0.212 C BRANCH 16 17 ATOM 17 O LIG 1 -9.210 0.276 -1.214 0.00 0.00 -0.389 OA ATOM 18 H LIG 1 -8.250 0.084 -1.220 0.00 0.00 +0.210 HD ENDBRANCH 16 17 ENDBRANCH 10 16 ENDBRANCH 5 7 BRANCH 2 19 ATOM 19 O LIG 1 -0.745 -0.900 -0.320 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 0.337 -0.866 0.607 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 1.616 -1.273 -0.114 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 1.935 -0.347 -1.287 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 3.177 -0.717 -1.889 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 4.335 -0.172 -1.406 0.00 0.00 +0.121 A ATOM 25 C LIG 1 4.451 0.674 -0.301 0.00 0.00 +0.049 A ATOM 26 C LIG 1 5.712 1.140 0.052 0.00 0.00 -0.040 A ATOM 27 C LIG 1 6.064 2.017 1.212 0.00 0.00 +0.036 C ATOM 28 C LIG 1 7.491 2.454 0.850 0.00 0.00 +0.013 C ATOM 29 C LIG 1 8.092 1.375 -0.078 0.00 0.00 +0.030 C ATOM 30 C LIG 1 6.851 0.762 -0.663 0.00 0.00 -0.040 A ATOM 31 C LIG 1 6.753 -0.083 -1.754 0.00 0.00 +0.008 A ATOM 32 C LIG 1 5.487 -0.545 -2.121 0.00 0.00 +0.046 A BRANCH 29 33 ATOM 33 C LIG 1 9.031 0.381 0.600 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 8.413 -0.448 1.691 0.00 0.00 +0.305 C ATOM 35 O LIG 1 8.007 -1.593 1.593 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 8.362 0.194 2.874 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 7.959 -0.469 3.474 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 2 19 BRANCH 1 38 ATOM 38 C LIG 1 -2.744 -0.923 -2.275 0.00 0.00 +0.038 C BRANCH 38 40 ATOM 39 C LIG 1 -3.911 -3.191 -2.284 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -2.610 -2.432 -2.504 0.00 0.00 +0.001 C ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 16