REMARK Name = BDB047796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.494 0.772 0.410 0.00 0.00 +0.075 A ATOM 2 N LIG 1 -1.191 0.724 0.761 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -0.528 -0.428 0.547 0.00 0.00 +0.168 A ATOM 4 N LIG 1 -1.085 -1.538 0.028 0.00 0.00 -0.229 NA ATOM 5 C LIG 1 -2.387 -1.478 -0.319 0.00 0.00 +0.075 A ATOM 6 C LIG 1 -3.134 -0.328 -0.132 0.00 0.00 +0.056 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -4.451 4.555 1.171 0.00 0.00 +0.120 A ATOM 8 C LIG 1 -4.894 3.725 0.141 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -4.265 2.500 -0.115 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -3.175 2.063 0.658 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -2.741 2.921 1.687 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.369 4.148 1.945 0.00 0.00 +0.046 A BRANCH 7 14 ATOM 13 C LIG 1 -4.723 6.607 2.336 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -5.153 5.720 1.311 0.00 0.00 -0.495 OA ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 5 15 ATOM 15 C LIG 1 -2.955 -2.718 -0.889 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.496 -3.978 -0.469 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -3.028 -5.161 -0.994 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -4.032 -5.122 -1.960 0.00 0.00 +0.120 A ATOM 19 C LIG 1 -4.494 -3.885 -2.402 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -3.960 -2.699 -1.873 0.00 0.00 +0.013 A BRANCH 18 21 ATOM 21 O LIG 1 -4.466 -6.346 -2.387 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 -5.494 -6.357 -3.370 0.00 0.00 +0.277 C ENDBRANCH 18 21 ENDBRANCH 5 15 BRANCH 3 23 ATOM 23 C LIG 1 0.938 -0.480 0.916 0.00 0.00 +0.305 C BRANCH 23 24 ATOM 24 O LIG 1 1.715 0.103 -0.134 0.00 0.00 -0.484 OA BRANCH 24 25 ATOM 25 C LIG 1 3.065 0.183 0.063 0.00 0.00 +0.122 A ATOM 26 C LIG 1 3.777 -0.360 1.131 0.00 0.00 +0.052 A ATOM 27 C LIG 1 5.175 -0.209 1.211 0.00 0.00 -0.005 A ATOM 28 C LIG 1 5.923 -0.804 2.373 0.00 0.00 +0.047 C ATOM 29 C LIG 1 5.860 0.498 0.206 0.00 0.00 +0.124 A ATOM 30 C LIG 1 5.142 1.038 -0.862 0.00 0.00 +0.049 A ATOM 31 C LIG 1 3.755 0.877 -0.931 0.00 0.00 +0.049 A BRANCH 29 32 ATOM 32 O LIG 1 7.216 0.599 0.372 0.00 0.00 -0.481 OA BRANCH 32 33 ATOM 33 C LIG 1 7.949 1.300 -0.623 0.00 0.00 +0.349 C BRANCH 33 34 ATOM 34 C LIG 1 9.431 1.310 -0.301 0.00 0.00 +0.343 C ATOM 35 O LIG 1 10.201 2.232 -0.524 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 9.895 0.153 0.215 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 10.850 0.316 0.360 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 11