REMARK Name = BDB048353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.396 -3.733 -0.644 0.00 0.00 +0.109 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.700 -4.429 -0.563 0.00 0.00 -0.318 N ATOM 3 C LIG 1 2.181 -5.037 -1.804 0.00 0.00 +0.130 C BRANCH 2 6 ATOM 4 C LIG 1 3.585 -1.633 0.706 0.00 0.00 +0.162 A ATOM 5 N LIG 1 2.630 -2.347 0.081 0.00 0.00 -0.212 NA ATOM 6 C LIG 1 2.703 -3.691 0.100 0.00 0.00 +0.128 A ATOM 7 C LIG 1 3.726 -4.337 0.786 0.00 0.00 +0.008 A ATOM 8 C LIG 1 3.848 -5.821 0.924 0.00 0.00 +0.049 C ATOM 9 C LIG 1 4.674 -3.516 1.370 0.00 0.00 +0.120 A ATOM 10 N LIG 1 4.634 -2.174 1.345 0.00 0.00 -0.235 NA BRANCH 4 14 ATOM 11 C LIG 1 3.173 2.672 0.695 0.00 0.00 +0.120 A ATOM 12 C LIG 1 2.218 1.871 0.077 0.00 0.00 +0.046 A ATOM 13 C LIG 1 2.363 0.476 0.079 0.00 0.00 +0.015 A ATOM 14 C LIG 1 3.456 -0.161 0.696 0.00 0.00 +0.019 A ATOM 15 C LIG 1 4.408 0.671 1.309 0.00 0.00 +0.015 A ATOM 16 C LIG 1 4.269 2.065 1.308 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 2.038 4.693 0.177 0.00 0.00 +0.277 C ATOM 18 O LIG 1 3.153 4.037 0.770 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 4 14 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.243 -2.802 -1.854 0.00 0.00 +0.060 C BRANCH 19 20 ATOM 20 C LIG 1 -1.023 -1.952 -1.765 0.00 0.00 +0.230 C BRANCH 20 21 ATOM 21 O LIG 1 -0.914 -1.083 -0.640 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.861 -0.107 -0.496 0.00 0.00 +0.121 A ATOM 23 C LIG 1 -1.622 0.774 0.563 0.00 0.00 +0.049 A ATOM 24 C LIG 1 -2.510 1.814 0.784 0.00 0.00 -0.040 A ATOM 25 C LIG 1 -2.460 2.834 1.877 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -3.406 3.901 1.315 0.00 0.00 +0.013 C ATOM 27 C LIG 1 -4.463 3.155 0.467 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -3.643 1.985 -0.019 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -3.904 1.099 -1.052 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -3.003 0.052 -1.292 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 -5.035 4.068 -0.617 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 -6.327 3.554 -1.190 0.00 0.00 +0.305 C ATOM 33 O LIG 1 -6.994 2.609 -0.808 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.739 4.299 -2.237 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -7.585 3.883 -2.507 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11