REMARK Name = BDB011484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.830 -1.156 0.175 0.00 0.00 +0.170 C ATOM 2 C LIG 1 -2.521 0.217 0.083 0.00 0.00 +0.241 C ATOM 3 O LIG 1 -3.566 0.326 -0.571 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.954 1.284 0.780 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.745 1.159 1.540 0.00 0.00 +0.052 A ATOM 6 C LIG 1 0.440 0.619 0.986 0.00 0.00 +0.051 A ATOM 7 C LIG 1 1.619 0.527 1.770 0.00 0.00 +0.049 A ATOM 8 C LIG 1 1.588 0.950 3.099 0.00 0.00 +0.024 A ATOM 9 C LIG 1 0.421 1.480 3.646 0.00 0.00 +0.004 A ATOM 10 S LIG 1 0.522 0.166 -0.761 0.00 0.00 -0.119 S ATOM 11 C LIG 1 -0.732 1.591 2.873 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -0.629 -1.246 -0.766 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -2.677 -3.498 0.119 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.842 -2.165 -0.163 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -3.694 -1.820 -0.597 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -1.627 -3.930 0.596 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -3.855 -4.421 -0.290 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -5.183 -3.934 0.283 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -4.049 -6.812 -0.700 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -3.588 -5.783 0.220 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -2.574 -5.876 0.351 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 2.786 0.008 1.156 0.00 0.00 -0.284 N ATOM 23 H LIG 1 2.660 -0.223 0.177 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 4.040 -0.173 1.702 0.00 0.00 +0.220 C ATOM 25 O LIG 1 4.369 0.089 2.855 0.00 0.00 -0.275 OA BRANCH 24 26 ATOM 26 C LIG 1 5.067 -0.749 0.727 0.00 0.00 +0.078 C ATOM 27 C LIG 1 4.659 -2.136 0.204 0.00 0.00 +0.028 C ATOM 28 C LIG 1 4.327 -2.120 -1.286 0.00 0.00 +0.081 C ATOM 29 N LIG 1 5.430 -1.612 -2.095 0.00 0.00 -0.316 NA ATOM 30 H LIG 1 5.102 -1.409 -3.039 0.00 0.00 +0.122 HD ATOM 31 C LIG 1 6.125 -0.455 -1.535 0.00 0.00 +0.081 C ATOM 32 C LIG 1 5.372 0.238 -0.405 0.00 0.00 +0.028 C ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 33 ATOM 33 C LIG 1 -2.691 2.557 0.822 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 -1.853 3.769 0.445 0.00 0.00 -0.022 A ATOM 35 C LIG 1 -1.419 4.013 -0.891 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -0.603 5.146 -1.146 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -0.147 5.410 -2.448 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -0.490 4.578 -3.511 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -1.297 3.472 -3.285 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -0.250 6.007 -0.098 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -0.695 5.773 1.199 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -1.756 3.197 -1.995 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -1.491 4.666 1.468 0.00 0.00 +0.006 A ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7