REMARK Name = BDB005371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.273 0.523 0.948 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.515 0.062 -0.135 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.220 0.286 0.215 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.137 0.066 -0.324 0.00 0.00 +0.156 C ATOM 5 N LIG 1 -1.917 0.678 0.792 0.00 0.00 -0.278 N ATOM 6 C LIG 1 -1.122 1.099 1.880 0.00 0.00 +0.268 C ATOM 7 O LIG 1 -1.503 1.574 2.936 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.230 0.844 1.453 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.488 0.974 1.926 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.370 0.868 0.806 0.00 0.00 +0.112 C ATOM 11 C LIG 1 -4.115 -0.266 1.502 0.00 0.00 +0.133 C ATOM 12 N LIG 1 -5.556 -0.051 1.514 0.00 0.00 -0.287 N ATOM 13 C LIG 1 -6.317 -0.833 2.473 0.00 0.00 +0.133 C ATOM 14 C LIG 1 -6.239 0.569 0.476 0.00 0.00 +0.304 C ATOM 15 O LIG 1 -7.466 0.550 0.400 0.00 0.00 -0.252 OA ATOM 16 N LIG 1 -5.458 1.231 -0.463 0.00 0.00 -0.287 N ATOM 17 C LIG 1 -6.119 1.808 -1.621 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -4.020 1.038 -0.561 0.00 0.00 +0.133 C ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.456 -1.397 -0.553 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -1.857 -1.833 -1.827 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.143 -3.180 -2.065 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.026 -4.107 -1.033 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.373 -5.765 -1.329 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -1.625 -3.699 0.236 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.341 -2.352 0.475 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 6.414 0.395 1.342 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.910 1.415 0.632 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.565 1.450 0.524 0.00 0.00 +0.231 A ATOM 29 C LIG 1 3.722 0.491 1.055 0.00 0.00 +0.097 A ATOM 30 C LIG 1 4.359 -0.489 1.785 0.00 0.00 +0.133 A ATOM 31 N LIG 1 5.698 -0.575 1.926 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 8.500 1.375 0.970 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.777 0.271 1.494 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.986 2.479 -0.200 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.895 3.525 -0.525 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.943 -0.607 -1.359 0.00 0.00 +0.083 C ATOM 37 C LIG 1 2.830 0.248 -2.260 0.00 0.00 +0.030 C ATOM 38 C LIG 1 2.555 -1.982 -1.094 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6