REMARK Name = BDB011284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.988 -0.170 -0.622 0.00 0.00 +0.054 A ATOM 2 N LIG 1 0.948 0.443 0.095 0.00 0.00 -0.339 N ATOM 3 C LIG 1 -0.189 0.288 -0.642 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.630 0.656 -0.544 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.095 0.183 -1.889 0.00 0.00 -0.252 N ATOM 6 C LIG 1 -1.071 -0.457 -2.628 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.099 -0.969 -3.734 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.107 -0.348 -1.812 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.464 -0.657 -1.818 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.433 0.373 -2.358 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -4.290 1.343 -1.808 0.00 0.00 +0.163 A ATOM 12 F LIG 1 -3.841 2.193 -0.869 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.605 1.497 -2.259 0.00 0.00 +0.078 A ATOM 14 CL LIG 1 -6.631 2.696 -1.564 0.00 0.00 -0.081 Cl ATOM 15 C LIG 1 -6.098 0.692 -3.280 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -5.267 -0.265 -3.851 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -3.951 -0.419 -3.396 0.00 0.00 +0.026 A ENDBRANCH 5 10 BRANCH 1 19 ATOM 18 C LIG 1 3.824 -1.178 0.761 0.00 0.00 +0.147 A ATOM 19 C LIG 1 3.385 -0.237 -0.180 0.00 0.00 +0.043 A ATOM 20 C LIG 1 4.305 0.655 -0.747 0.00 0.00 +0.038 A ATOM 21 C LIG 1 5.637 0.605 -0.348 0.00 0.00 +0.056 A ATOM 22 N LIG 1 6.075 -0.277 0.581 0.00 0.00 -0.255 NA ATOM 23 C LIG 1 5.170 -1.144 1.102 0.00 0.00 +0.157 A BRANCH 18 25 ATOM 24 C LIG 1 3.374 -3.103 2.087 0.00 0.00 +0.277 C ATOM 25 O LIG 1 2.895 -2.042 1.271 0.00 0.00 -0.493 OA ENDBRANCH 18 25 BRANCH 21 26 ATOM 26 C LIG 1 6.657 1.550 -0.933 0.00 0.00 +0.173 C BRANCH 26 27 ATOM 27 C LIG 1 6.949 1.259 -2.341 0.00 0.00 +0.069 C ATOM 28 N LIG 1 7.175 1.061 -3.463 0.00 0.00 -0.196 NA ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 1 19 BRANCH 4 29 ATOM 29 C LIG 1 -2.356 -0.058 0.590 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -3.077 0.683 1.542 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.757 0.045 2.583 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.728 -1.348 2.691 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.018 -2.099 1.751 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.341 -1.460 0.709 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -4.422 -2.002 3.761 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.980 -2.530 4.631 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 1.117 1.164 1.358 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.502 2.565 1.341 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.647 0.358 2.566 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 8