REMARK Name = BDB048783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.354 -3.788 -2.047 0.00 0.00 +0.067 C ATOM 2 C LIG 1 -1.045 -2.807 -1.180 0.00 0.00 +0.060 A ATOM 3 C LIG 1 -0.617 -2.232 0.001 0.00 0.00 +0.044 A ATOM 4 N LIG 1 -1.644 -1.390 0.373 0.00 0.00 -0.330 N ATOM 5 C LIG 1 -1.633 -0.485 1.500 0.00 0.00 +0.150 C ATOM 6 C LIG 1 -2.665 -1.525 -0.549 0.00 0.00 +0.141 A ATOM 7 N LIG 1 -2.289 -2.341 -1.516 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -3.960 -0.842 -0.502 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -4.771 -0.877 0.638 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -6.006 -0.217 0.652 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -6.468 0.482 -0.474 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -5.657 0.493 -1.619 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -4.422 -0.165 -1.635 0.00 0.00 +0.012 A BRANCH 11 14 ATOM 14 C LIG 1 -7.769 1.172 -0.458 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -8.082 2.106 0.544 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -9.317 2.760 0.559 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -10.261 2.490 -0.427 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -9.973 1.567 -1.429 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.737 0.914 -1.444 0.00 0.00 +0.008 A ENDBRANCH 11 14 ENDBRANCH 6 8 BRANCH 3 20 ATOM 20 C LIG 1 0.655 -2.418 0.760 0.00 0.00 +0.096 C BRANCH 20 21 ATOM 21 C LIG 1 1.773 -1.515 0.236 0.00 0.00 +0.235 C BRANCH 21 22 ATOM 22 O LIG 1 2.916 -1.698 1.074 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 4.034 -0.970 0.765 0.00 0.00 +0.121 A ATOM 24 C LIG 1 4.158 -0.072 -0.298 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.370 0.582 -0.474 0.00 0.00 -0.040 A ATOM 26 C LIG 1 5.721 1.589 -1.524 0.00 0.00 +0.036 C ATOM 27 C LIG 1 7.254 1.571 -1.444 0.00 0.00 +0.013 C ATOM 28 C LIG 1 7.627 1.228 0.018 0.00 0.00 +0.030 C ATOM 29 C LIG 1 6.444 0.374 0.398 0.00 0.00 -0.040 A ATOM 30 C LIG 1 6.335 -0.515 1.452 0.00 0.00 +0.008 A ATOM 31 C LIG 1 5.123 -1.187 1.629 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 7.745 2.488 0.880 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 8.338 2.197 2.231 0.00 0.00 +0.305 C ATOM 34 O LIG 1 9.039 1.252 2.548 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 8.058 3.167 3.124 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 8.505 2.872 3.945 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 3 20 TORSDOF 9