REMARK Name = BDB021590 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.089 0.842 -0.928 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -3.505 -0.211 -0.224 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -2.116 -0.260 0.014 0.00 0.00 +0.133 A ATOM 4 O LIG 1 -1.805 -1.375 0.734 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.517 -1.480 1.313 0.00 0.00 +0.248 C ATOM 6 C LIG 1 0.558 -1.502 0.248 0.00 0.00 +0.149 C ATOM 7 N LIG 1 1.030 -0.151 0.004 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.205 0.890 -0.403 0.00 0.00 +0.250 C ATOM 9 O LIG 1 0.701 1.974 -0.728 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.289 0.752 -0.499 0.00 0.00 +0.078 A ATOM 11 C LIG 1 -1.909 1.797 -1.233 0.00 0.00 +0.017 A ATOM 12 C LIG 1 -3.288 1.844 -1.454 0.00 0.00 +0.014 A ENDROOT BRANCH 1 14 ATOM 13 O LIG 1 -5.909 0.914 -2.360 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -5.542 0.864 -1.189 0.00 0.00 +0.247 C ATOM 15 N LIG 1 -6.429 0.806 -0.114 0.00 0.00 -0.297 N ATOM 16 C LIG 1 -7.856 0.737 -0.439 0.00 0.00 +0.120 C ATOM 17 C LIG 1 -8.754 0.663 0.796 0.00 0.00 +0.110 C ATOM 18 C LIG 1 -8.145 -0.277 1.842 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -6.718 0.130 2.232 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -6.090 1.135 1.269 0.00 0.00 +0.108 C BRANCH 17 21 ATOM 21 C LIG 1 -10.148 0.230 0.391 0.00 0.00 +0.394 C ATOM 22 F LIG 1 -10.154 -1.004 -0.154 0.00 0.00 -0.170 F ATOM 23 F LIG 1 -10.973 0.210 1.462 0.00 0.00 -0.170 F ATOM 24 F LIG 1 -10.678 1.085 -0.510 0.00 0.00 -0.170 F ENDBRANCH 17 21 ENDBRANCH 1 14 BRANCH 7 25 ATOM 25 C LIG 1 2.487 0.031 -0.130 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 2.982 -0.262 -1.558 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 2.863 -1.664 -1.850 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 3.109 -1.780 -2.783 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 4.429 0.240 -1.791 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 5.424 -0.100 -0.751 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 6.665 0.669 -0.989 0.00 0.00 +0.120 C ATOM 32 C LIG 1 7.809 0.299 -0.069 0.00 0.00 -0.030 A ATOM 33 C LIG 1 7.825 -0.935 0.602 0.00 0.00 -0.042 A ATOM 34 C LIG 1 8.911 -1.269 1.422 0.00 0.00 +0.004 A ATOM 35 C LIG 1 9.988 -0.394 1.556 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.985 0.822 0.877 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.645 -1.863 0.490 0.00 0.00 +0.051 C ATOM 38 C LIG 1 8.903 1.167 0.067 0.00 0.00 +0.005 A ATOM 39 C LIG 1 5.739 -1.536 -0.708 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 7