REMARK Name = BDB059795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.615 0.729 -2.012 0.00 0.00 +0.051 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 0.740 -0.488 -1.023 0.00 0.00 +0.192 A ATOM 3 C LIG 1 -0.029 0.558 -1.484 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.357 0.065 -1.514 0.00 0.00 +0.091 A ATOM 5 N LIG 1 -1.399 -1.194 -1.056 0.00 0.00 -0.082 NA ATOM 6 O LIG 1 -0.100 -1.526 -0.733 0.00 0.00 -0.352 OA BRANCH 2 10 ATOM 7 C LIG 1 4.293 -1.345 -0.377 0.00 0.00 +0.138 A ATOM 8 O LIG 1 4.398 -0.094 -0.902 0.00 0.00 -0.359 OA ATOM 9 N LIG 1 3.136 0.388 -1.201 0.00 0.00 -0.075 NA ATOM 10 C LIG 1 2.284 -0.583 -0.854 0.00 0.00 +0.151 A ATOM 11 C LIG 1 2.969 -1.706 -0.341 0.00 0.00 +0.079 A BRANCH 7 12 ATOM 12 C LIG 1 5.563 -2.019 -0.003 0.00 0.00 +0.083 C BRANCH 12 14 ATOM 13 C LIG 1 7.363 -2.516 1.661 0.00 0.00 +0.011 C ATOM 14 C LIG 1 6.037 -1.757 1.450 0.00 0.00 -0.031 C ATOM 15 C LIG 1 5.016 -2.276 2.478 0.00 0.00 +0.011 C ATOM 16 C LIG 1 6.293 -0.260 1.699 0.00 0.00 +0.011 C ENDBRANCH 12 14 ENDBRANCH 7 12 ENDBRANCH 2 10 BRANCH 3 17 ATOM 17 C LIG 1 0.460 1.951 -1.948 0.00 0.00 +0.025 C ATOM 18 C LIG 1 1.196 2.839 -0.975 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -0.189 3.202 -1.408 0.00 0.00 +0.009 C ENDBRANCH 3 17 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 -3.850 0.393 -1.154 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 C LIG 1 -3.769 1.005 0.237 0.00 0.00 +0.218 C ATOM 22 N LIG 1 -4.595 0.356 1.137 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -5.119 -0.445 0.796 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 -3.081 1.992 0.471 0.00 0.00 -0.275 OA BRANCH 22 25 ATOM 25 C LIG 1 -4.791 0.646 2.508 0.00 0.00 +0.052 A ATOM 26 C LIG 1 -5.682 -0.164 3.242 0.00 0.00 +0.064 A ATOM 27 CL LIG 1 -6.516 -1.480 2.482 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 -5.922 0.065 4.598 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -5.268 1.113 5.237 0.00 0.00 +0.042 A ATOM 30 CL LIG 1 -5.554 1.407 6.908 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 -4.384 1.925 4.533 0.00 0.00 +0.022 A ATOM 32 C LIG 1 -4.146 1.692 3.173 0.00 0.00 +0.026 A ENDBRANCH 22 25 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 1 33 ATOM 33 C LIG 1 -2.852 0.422 -3.509 0.00 0.00 +0.021 C BRANCH 33 34 ATOM 34 C LIG 1 -3.234 -1.022 -3.827 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 C LIG 1 -3.393 -1.196 -5.316 0.00 0.00 +0.305 C ATOM 36 O LIG 1 -4.439 -0.998 -5.914 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.250 -1.553 -5.941 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -1.487 -1.671 -5.342 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 12