REMARK Name = BDB005304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.985 0.300 0.696 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.091 0.073 -0.364 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.102 -0.210 0.226 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.474 -0.638 -0.117 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.056 -0.777 1.256 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.089 -0.566 2.278 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.178 -0.728 3.484 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.105 -0.172 1.569 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.372 0.188 1.871 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.361 -1.306 1.489 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.185 -0.898 2.562 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.848 0.202 3.535 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.443 -1.514 2.747 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -5.912 -2.482 1.864 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.123 -2.850 0.787 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -5.688 -4.039 -0.322 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.866 -2.273 0.599 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.271 0.296 -1.021 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -2.486 1.677 -0.787 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -1.903 2.426 0.381 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -3.255 2.422 -1.706 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -3.815 1.821 -2.830 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.746 2.758 -3.931 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.620 0.469 -3.067 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.857 -0.283 -2.173 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 29 ATOM 26 C LIG 1 6.005 1.360 0.404 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.667 0.159 -0.088 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.366 -0.179 0.025 0.00 0.00 +0.231 A ATOM 29 C LIG 1 3.395 0.644 0.569 0.00 0.00 +0.097 A ATOM 30 C LIG 1 3.874 1.840 1.060 0.00 0.00 +0.133 A ATOM 31 N LIG 1 5.162 2.231 0.975 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 8.197 0.808 -0.183 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.309 1.795 0.324 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.960 -1.412 -0.461 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 5.042 -2.269 -0.811 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.409 0.137 -1.788 0.00 0.00 +0.083 C ATOM 37 C LIG 1 1.025 -1.138 -2.539 0.00 0.00 +0.030 C ATOM 38 C LIG 1 0.848 1.388 -2.459 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6