REMARK Name = BDB020032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.419 -0.877 0.632 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.276 0.314 0.878 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.671 0.308 1.020 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.359 -0.910 0.893 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.685 -2.108 0.601 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.287 -2.077 0.480 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.400 1.560 1.265 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.844 1.937 2.555 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -2.608 1.064 3.759 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -3.543 3.145 2.716 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.788 3.966 1.621 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -4.454 5.115 1.796 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.353 3.613 0.353 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.663 2.414 0.176 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.597 -0.007 1.265 0.00 0.00 -0.304 N ATOM 16 H LIG 1 2.076 0.618 1.860 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.900 -0.900 0.483 0.00 0.00 +0.245 C ATOM 18 O LIG 1 2.411 -1.700 -0.291 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 4.009 0.323 1.112 0.00 0.00 +0.107 C BRANCH 19 26 ATOM 20 C LIG 1 3.393 2.168 -3.587 0.00 0.00 +0.047 C ATOM 21 C LIG 1 3.940 2.299 -2.199 0.00 0.00 -0.015 A ATOM 22 C LIG 1 4.630 3.450 -1.816 0.00 0.00 +0.126 A ATOM 23 F LIG 1 4.816 4.445 -2.695 0.00 0.00 -0.205 F ATOM 24 C LIG 1 5.143 3.584 -0.532 0.00 0.00 +0.039 A ATOM 25 C LIG 1 4.948 2.566 0.403 0.00 0.00 +0.008 A ATOM 26 C LIG 1 4.232 1.403 0.063 0.00 0.00 -0.027 A ATOM 27 C LIG 1 3.736 1.288 -1.248 0.00 0.00 +0.011 A ENDBRANCH 19 26 BRANCH 19 28 ATOM 28 C LIG 1 4.896 -0.894 1.032 0.00 0.00 +0.014 C ATOM 29 C LIG 1 6.398 -0.770 0.880 0.00 0.00 +0.006 C ATOM 30 C LIG 1 5.585 -1.396 -0.219 0.00 0.00 +0.006 C ENDBRANCH 19 28 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 31 ATOM 31 C LIG 1 -2.422 -3.428 0.466 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -3.654 -3.313 -0.287 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -3.699 -3.221 -1.680 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -2.701 -3.268 -2.487 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -3.039 -3.177 -3.445 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -5.062 -3.087 -1.969 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.617 -2.997 -3.296 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -5.796 -3.139 -0.791 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -4.941 -3.276 0.231 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 7