REMARK Name = BDB013410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.954 1.479 1.283 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.608 2.760 0.802 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.596 3.893 0.739 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.711 3.002 0.385 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.681 2.001 0.440 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.359 0.727 0.918 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -0.046 0.489 1.352 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.358 1.127 1.742 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 4.258 -0.100 -1.323 0.00 0.00 +0.191 C ATOM 10 O LIG 1 4.301 -1.533 -1.377 0.00 0.00 -0.470 OA ATOM 11 C LIG 1 4.958 -2.140 -0.354 0.00 0.00 +0.242 A ATOM 12 C LIG 1 4.496 -2.196 0.942 0.00 0.00 +0.167 A ATOM 13 C LIG 1 5.266 -2.859 1.905 0.00 0.00 +0.035 A ATOM 14 C LIG 1 6.464 -3.455 1.529 0.00 0.00 +0.022 A ATOM 15 C LIG 1 6.841 -3.370 0.202 0.00 0.00 +0.115 A ATOM 16 S LIG 1 2.959 -1.490 1.386 0.00 0.00 +0.066 S ATOM 17 O LIG 1 2.898 -1.509 2.835 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 1.921 -2.127 0.607 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 3.101 0.135 0.912 0.00 0.00 -0.169 NA ATOM 20 N LIG 1 6.115 -2.731 -0.740 0.00 0.00 -0.220 NA ATOM 21 C LIG 1 3.024 0.393 -0.554 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 6.674 0.450 -1.931 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.556 0.626 -0.909 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -2.398 -0.392 1.011 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 -3.330 -0.474 -0.207 0.00 0.00 -0.034 A ATOM 26 C LIG 1 -2.738 -0.679 -1.474 0.00 0.00 +0.036 A ATOM 27 C LIG 1 -3.548 -0.765 -2.613 0.00 0.00 +0.117 A ATOM 28 N LIG 1 -3.219 -0.947 -3.929 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 -4.341 -0.959 -4.636 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 -5.361 -0.791 -3.773 0.00 0.00 -0.243 N ATOM 31 C LIG 1 -6.717 -0.770 -4.255 0.00 0.00 +0.175 C ATOM 32 C LIG 1 -4.925 -0.658 -2.482 0.00 0.00 +0.130 A ATOM 33 C LIG 1 -5.568 -0.464 -1.256 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -4.732 -0.385 -0.126 0.00 0.00 +0.052 A BRANCH 33 35 ATOM 35 O LIG 1 -6.931 -0.376 -1.254 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -7.555 -0.053 -0.017 0.00 0.00 +0.277 C ENDBRANCH 33 35 ENDBRANCH 24 25 BRANCH 24 37 ATOM 37 C LIG 1 -3.022 -0.461 2.419 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 -3.422 0.857 3.024 0.00 0.00 +0.306 C ATOM 39 O LIG 1 -2.947 1.352 4.034 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 -4.437 1.473 2.393 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 -4.553 2.299 2.910 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 6 24 TORSDOF 9