REMARK Name = BDB019849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.119 -1.131 0.880 0.00 0.00 -0.026 A ATOM 2 C LIG 1 2.307 0.242 0.652 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.228 1.093 0.363 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -0.070 0.558 0.342 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.284 -0.801 0.604 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.811 -1.638 0.862 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.461 2.518 0.095 0.00 0.00 +0.012 A ATOM 8 C LIG 1 1.455 3.078 -1.196 0.00 0.00 +0.151 A ATOM 9 N LIG 1 1.665 4.417 -1.408 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 1.903 5.205 -0.340 0.00 0.00 +0.111 A ATOM 11 C LIG 1 1.940 4.738 0.957 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.715 3.383 1.173 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 1.198 2.202 -2.418 0.00 0.00 +0.435 C ATOM 14 F LIG 1 1.338 2.857 -3.608 0.00 0.00 -0.164 F ATOM 15 F LIG 1 2.036 1.127 -2.502 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -0.069 1.689 -2.438 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -1.643 -1.414 0.589 0.00 0.00 +0.245 C ATOM 18 N LIG 1 -2.705 -0.576 0.846 0.00 0.00 -0.304 N ATOM 19 H LIG 1 -2.554 0.383 1.114 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 -1.766 -2.617 0.388 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 -4.070 -1.062 0.815 0.00 0.00 +0.107 C BRANCH 21 22 ATOM 22 C LIG 1 -4.635 -1.046 -0.597 0.00 0.00 -0.024 A ATOM 23 C LIG 1 -4.560 0.098 -1.410 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -5.096 0.081 -2.695 0.00 0.00 +0.159 A ATOM 25 F LIG 1 -5.019 1.185 -3.451 0.00 0.00 -0.202 F ATOM 26 C LIG 1 -5.708 -1.063 -3.189 0.00 0.00 +0.158 A ATOM 27 F LIG 1 -6.225 -1.074 -4.425 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -5.791 -2.207 -2.404 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -5.258 -2.199 -1.112 0.00 0.00 +0.008 A ENDBRANCH 21 22 BRANCH 21 30 ATOM 30 C LIG 1 -4.916 -0.199 1.719 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -6.099 -0.783 2.452 0.00 0.00 +0.006 C ATOM 32 C LIG 1 -4.865 -0.393 3.216 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 18 21 ENDBRANCH 5 17 BRANCH 1 33 ATOM 33 C LIG 1 3.280 -2.056 1.189 0.00 0.00 +0.159 C BRANCH 33 39 ATOM 34 C LIG 1 7.563 -0.313 -0.602 0.00 0.00 +0.152 C ATOM 35 N LIG 1 6.347 -1.076 -0.466 0.00 0.00 -0.320 N ATOM 36 C LIG 1 5.564 -1.067 0.690 0.00 0.00 +0.204 A ATOM 37 N LIG 1 5.852 -0.473 1.793 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 5.107 -0.621 2.471 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 4.428 -1.809 0.341 0.00 0.00 -0.313 N ATOM 40 C LIG 1 4.524 -2.198 -0.994 0.00 0.00 +0.107 A ATOM 41 C LIG 1 5.685 -1.745 -1.483 0.00 0.00 +0.106 A ENDBRANCH 33 39 ENDBRANCH 1 33 TORSDOF 8