REMARK Name = BDB048355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.038 -2.633 0.752 0.00 0.00 -0.318 N ATOM 2 C LIG 1 1.394 -3.370 1.973 0.00 0.00 +0.130 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 4.153 -1.177 -0.352 0.00 0.00 +0.162 A ATOM 4 N LIG 1 3.013 -1.354 0.342 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 2.238 -2.406 0.019 0.00 0.00 +0.128 A ATOM 6 C LIG 1 2.578 -3.288 -1.000 0.00 0.00 +0.008 A ATOM 7 C LIG 1 1.730 -4.454 -1.388 0.00 0.00 +0.049 C ATOM 8 C LIG 1 3.769 -3.020 -1.643 0.00 0.00 +0.120 A ATOM 9 N LIG 1 4.570 -1.984 -1.344 0.00 0.00 -0.235 NA BRANCH 3 13 ATOM 10 C LIG 1 6.644 2.202 0.687 0.00 0.00 +0.121 A ATOM 11 C LIG 1 7.013 1.348 -0.349 0.00 0.00 +0.046 A ATOM 12 C LIG 1 6.201 0.253 -0.682 0.00 0.00 +0.015 A ATOM 13 C LIG 1 5.003 -0.022 0.004 0.00 0.00 +0.019 A ATOM 14 C LIG 1 4.655 0.856 1.046 0.00 0.00 +0.015 A ATOM 15 C LIG 1 5.462 1.950 1.382 0.00 0.00 +0.046 A BRANCH 10 16 ATOM 16 O LIG 1 7.338 3.300 1.114 0.00 0.00 -0.492 OA BRANCH 16 18 ATOM 17 C LIG 1 9.143 4.853 1.063 0.00 0.00 +0.048 C ATOM 18 C LIG 1 8.552 3.606 0.431 0.00 0.00 +0.225 C ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 3 13 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 0.347 -1.354 1.007 0.00 0.00 +0.109 C BRANCH 19 20 ATOM 20 C LIG 1 -1.129 -1.578 1.332 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C LIG 1 -1.877 -2.260 0.189 0.00 0.00 +0.230 C BRANCH 21 22 ATOM 22 O LIG 1 -3.267 -2.377 0.505 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -4.114 -1.369 0.135 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -5.468 -1.653 0.342 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -6.417 -0.698 0.013 0.00 0.00 -0.040 A ATOM 26 C LIG 1 -7.904 -0.826 0.100 0.00 0.00 +0.036 C ATOM 27 C LIG 1 -8.324 0.646 0.033 0.00 0.00 +0.013 C ATOM 28 C LIG 1 -7.264 1.373 -0.830 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -6.045 0.540 -0.520 0.00 0.00 -0.040 A ATOM 30 C LIG 1 -4.708 0.827 -0.746 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -3.742 -0.130 -0.406 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 -7.171 2.850 -0.441 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -6.447 3.683 -1.472 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -6.227 3.352 -2.625 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.080 4.894 -0.991 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -6.326 5.044 -0.058 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 19 20 ENDBRANCH 1 19 TORSDOF 12