REMARK Name = BDB042089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.546 0.070 -0.616 0.00 0.00 -0.282 N ATOM 2 C LIG 1 5.322 0.579 0.656 0.00 0.00 +0.248 C ATOM 3 O LIG 1 6.105 1.145 1.393 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.925 0.286 0.990 0.00 0.00 +0.044 A ATOM 5 C LIG 1 3.200 0.633 2.114 0.00 0.00 +0.014 A ATOM 6 C LIG 1 1.869 0.211 2.176 0.00 0.00 +0.008 A ATOM 7 C LIG 1 1.289 -0.538 1.122 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.074 -0.878 0.012 0.00 0.00 +0.133 A ATOM 9 F LIG 1 1.564 -1.607 -0.990 0.00 0.00 -0.205 F ATOM 10 C LIG 1 3.385 -0.460 -0.051 0.00 0.00 +0.017 A ATOM 11 C LIG 1 4.409 -0.703 -1.100 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 10.988 -0.234 -1.432 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.770 -0.130 -1.316 0.00 0.00 +0.219 C ATOM 14 N LIG 1 9.035 -1.101 -0.683 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.560 -1.873 -0.296 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.665 -1.203 -0.596 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.147 -2.216 -0.127 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.864 -0.056 -1.230 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.676 1.238 -1.215 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.997 1.012 -1.934 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 7 21 ATOM 21 C LIG 1 -0.144 -1.019 1.213 0.00 0.00 +0.122 C BRANCH 21 22 ATOM 22 N LIG 1 -1.089 0.035 1.625 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -1.300 1.051 0.579 0.00 0.00 +0.086 C ATOM 24 C LIG 1 -2.622 0.898 -0.168 0.00 0.00 +0.038 C ATOM 25 C LIG 1 -3.811 1.024 0.803 0.00 0.00 +0.083 C ATOM 26 C LIG 1 -3.469 0.452 2.193 0.00 0.00 +0.038 C ATOM 27 C LIG 1 -2.340 -0.570 2.111 0.00 0.00 +0.086 C BRANCH 25 28 ATOM 28 N LIG 1 -5.088 0.488 0.227 0.00 0.00 -0.282 N BRANCH 28 29 ATOM 29 C LIG 1 -5.745 1.395 -0.658 0.00 0.00 +0.126 A ATOM 30 N LIG 1 -5.230 2.627 -0.891 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 -5.891 3.464 -1.723 0.00 0.00 +0.113 A ATOM 32 C LIG 1 -7.075 3.147 -2.357 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -7.618 1.897 -2.118 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -6.952 1.019 -1.262 0.00 0.00 +0.044 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.192 -0.917 0.102 0.00 0.00 +0.035 A ATOM 36 C LIG 1 -5.744 -1.680 1.140 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -5.870 -3.067 1.026 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -5.459 -3.711 -0.138 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.935 -2.967 -1.192 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -4.811 -1.581 -1.075 0.00 0.00 +0.023 A ENDBRANCH 28 35 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 6