REMARK Name = BDB048346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.078 -1.484 -0.954 0.00 0.00 +0.109 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.657 -2.437 0.013 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -2.257 -3.609 -0.636 0.00 0.00 +0.130 C BRANCH 2 6 ATOM 4 C LIG 1 -4.497 -0.456 1.038 0.00 0.00 +0.162 A ATOM 5 N LIG 1 -3.550 -1.000 0.251 0.00 0.00 -0.212 NA ATOM 6 C LIG 1 -2.658 -1.831 0.822 0.00 0.00 +0.128 A ATOM 7 C LIG 1 -2.692 -2.126 2.180 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -1.704 -3.029 2.842 0.00 0.00 +0.049 C ATOM 9 C LIG 1 -3.705 -1.523 2.895 0.00 0.00 +0.120 A ATOM 10 N LIG 1 -4.615 -0.694 2.357 0.00 0.00 -0.235 NA BRANCH 4 15 ATOM 11 C LIG 1 -8.329 3.166 -1.439 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -7.360 2.211 -0.807 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -6.343 1.625 -1.565 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -5.420 0.760 -0.966 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -5.474 0.458 0.408 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -6.497 1.071 1.155 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -7.423 1.937 0.561 0.00 0.00 +0.004 A ENDBRANCH 4 15 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.202 -0.444 -0.254 0.00 0.00 +0.060 C BRANCH 18 19 ATOM 19 C LIG 1 0.487 0.459 -1.272 0.00 0.00 +0.230 C BRANCH 19 20 ATOM 20 O LIG 1 1.287 1.444 -0.617 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 2.601 1.159 -0.362 0.00 0.00 +0.121 A ATOM 22 C LIG 1 3.213 -0.089 -0.492 0.00 0.00 +0.049 A ATOM 23 C LIG 1 4.560 -0.204 -0.174 0.00 0.00 -0.040 A ATOM 24 C LIG 1 5.418 -1.426 -0.270 0.00 0.00 +0.036 C ATOM 25 C LIG 1 6.609 -1.017 0.608 0.00 0.00 +0.013 C ATOM 26 C LIG 1 6.739 0.521 0.509 0.00 0.00 +0.030 C ATOM 27 C LIG 1 5.305 0.899 0.257 0.00 0.00 -0.040 A ATOM 28 C LIG 1 4.711 2.141 0.391 0.00 0.00 +0.008 A ATOM 29 C LIG 1 3.352 2.261 0.084 0.00 0.00 +0.046 A BRANCH 26 30 ATOM 30 C LIG 1 7.675 0.945 -0.623 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 8.034 2.406 -0.527 0.00 0.00 +0.305 C ATOM 32 O LIG 1 7.590 3.275 -1.261 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 8.920 2.679 0.458 0.00 0.00 -0.481 OA ATOM 34 H LIG 1 9.218 1.899 0.961 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 10