REMARK Name = BDB046826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.219 1.481 -0.601 0.00 0.00 -0.030 A ATOM 2 C LIG 1 0.038 1.243 -1.172 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.185 1.168 -0.372 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.091 1.331 1.010 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.161 1.571 1.581 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.307 1.646 0.787 0.00 0.00 +0.009 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.462 1.553 -1.456 0.00 0.00 +0.146 C BRANCH 7 9 ATOM 8 C LIG 1 -4.532 0.586 -0.567 0.00 0.00 +0.409 C ATOM 9 N LIG 1 -3.335 0.408 -1.243 0.00 0.00 -0.252 N ATOM 10 O LIG 1 -4.858 1.644 -0.038 0.00 0.00 -0.226 OA BRANCH 8 11 ATOM 11 O LIG 1 -5.309 -0.570 -0.560 0.00 0.00 -0.411 OA BRANCH 11 15 ATOM 12 C LIG 1 -9.028 -0.393 1.346 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -7.994 -1.183 1.861 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -6.750 -1.228 1.230 0.00 0.00 +0.050 A ATOM 15 C LIG 1 -6.546 -0.466 0.085 0.00 0.00 +0.133 A ATOM 16 C LIG 1 -7.570 0.309 -0.457 0.00 0.00 +0.050 A ATOM 17 C LIG 1 -8.812 0.350 0.182 0.00 0.00 +0.049 A BRANCH 12 19 ATOM 18 C LIG 1 -11.256 0.391 1.620 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -10.192 -0.441 2.064 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 8 11 BRANCH 9 20 ATOM 20 C LIG 1 -2.988 -0.859 -1.891 0.00 0.00 +0.231 C BRANCH 20 21 ATOM 21 C LIG 1 -3.524 -1.003 -3.310 0.00 0.00 +0.322 C ATOM 22 O LIG 1 -3.334 -1.966 -4.039 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 O LIG 1 -4.255 0.040 -3.752 0.00 0.00 -0.480 OA ATOM 24 H LIG 1 -4.537 -0.226 -4.652 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 9 20 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 O LIG 1 2.120 1.277 1.908 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 3.447 1.055 1.424 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 3.733 -0.440 1.292 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 5.044 -0.706 0.650 0.00 0.00 +0.086 A ATOM 29 C LIG 1 5.327 -1.361 -0.529 0.00 0.00 +0.126 A ATOM 30 C LIG 1 4.520 -2.026 -1.566 0.00 0.00 +0.088 C ATOM 31 O LIG 1 6.682 -1.349 -0.701 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 7.160 -0.681 0.397 0.00 0.00 +0.228 A ATOM 33 N LIG 1 6.217 -0.277 1.228 0.00 0.00 -0.214 NA BRANCH 32 34 ATOM 34 C LIG 1 8.608 -0.511 0.490 0.00 0.00 +0.037 A ATOM 35 C LIG 1 9.479 -0.991 -0.500 0.00 0.00 +0.013 A ATOM 36 C LIG 1 10.860 -0.812 -0.385 0.00 0.00 +0.001 A ATOM 37 C LIG 1 11.389 -0.152 0.723 0.00 0.00 +0.000 A ATOM 38 C LIG 1 10.538 0.330 1.716 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.157 0.151 1.599 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 13