REMARK Name = BDB005434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.665 0.390 -0.476 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.634 -0.403 0.040 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.494 0.024 -0.588 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.945 -0.246 -0.600 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.372 0.730 -1.656 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.284 1.519 -2.140 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.269 2.409 -2.974 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.131 1.020 -1.431 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.195 1.273 -1.355 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.713 0.796 -2.147 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -4.135 1.817 -3.011 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -5.452 1.869 -3.478 0.00 0.00 +0.043 A ATOM 13 CL LIG 1 -5.938 3.143 -4.532 0.00 0.00 -0.083 Cl ATOM 14 C LIG 1 -6.380 0.907 -3.099 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.986 -0.116 -2.246 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -4.667 -0.169 -1.777 0.00 0.00 +0.023 A ENDBRANCH 5 10 BRANCH 4 17 ATOM 17 C LIG 1 -2.587 0.003 0.758 0.00 0.00 -0.021 A ATOM 18 C LIG 1 -2.673 1.293 1.311 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -3.248 1.495 2.568 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -3.739 0.410 3.287 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -4.442 0.657 4.837 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -3.661 -0.877 2.760 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -3.088 -1.080 1.503 0.00 0.00 +0.007 A ENDBRANCH 4 17 BRANCH 1 27 ATOM 24 C LIG 1 5.680 0.325 0.617 0.00 0.00 +0.321 A ATOM 25 N LIG 1 5.281 -0.606 -0.257 0.00 0.00 -0.159 NA ATOM 26 C LIG 1 3.982 -0.565 -0.616 0.00 0.00 +0.231 A ATOM 27 C LIG 1 3.067 0.333 -0.097 0.00 0.00 +0.097 A ATOM 28 C LIG 1 3.604 1.258 0.773 0.00 0.00 +0.133 A ATOM 29 N LIG 1 4.896 1.268 1.163 0.00 0.00 -0.202 NA BRANCH 24 31 ATOM 30 C LIG 1 7.429 1.321 1.799 0.00 0.00 +0.280 C ATOM 31 O LIG 1 7.011 0.249 0.966 0.00 0.00 -0.466 OA ENDBRANCH 24 31 BRANCH 26 32 ATOM 32 O LIG 1 3.515 -1.501 -1.523 0.00 0.00 -0.479 OA ATOM 33 C LIG 1 4.553 -2.251 -2.145 0.00 0.00 +0.279 C ENDBRANCH 26 32 ENDBRANCH 1 27 BRANCH 2 34 ATOM 34 C LIG 1 0.673 -1.411 1.094 0.00 0.00 +0.083 C ATOM 35 C LIG 1 1.570 -2.609 0.793 0.00 0.00 +0.030 C ATOM 36 C LIG 1 0.970 -0.808 2.466 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 6