REMARK Name = BDB031782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.397 1.082 -2.197 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.840 -0.050 -2.820 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.348 -0.583 -2.305 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.015 -0.044 -1.214 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.161 -0.883 -1.023 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -2.192 -1.863 -1.933 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.476 1.100 -0.599 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.105 -1.654 -2.687 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.929 -2.290 -3.455 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.715 1.645 -1.104 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.003 -0.137 1.497 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.643 0.091 0.160 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.111 1.224 -0.490 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.940 1.764 -1.882 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.673 1.709 -2.711 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.785 3.017 -1.894 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.330 3.153 -0.630 0.00 0.00 -0.284 N ATOM 18 H LIG 1 5.942 3.914 -0.381 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 4.940 3.755 -2.853 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.870 0.854 -3.075 0.00 0.00 +0.031 C ATOM 21 C LIG 1 4.949 2.105 0.209 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.324 1.914 1.522 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.838 0.774 2.171 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.817 -1.582 3.380 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.478 -1.282 2.033 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.051 -0.663 -0.014 0.00 0.00 -0.283 N ATOM 27 H LIG 1 -2.832 0.139 0.574 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.243 -1.290 0.197 0.00 0.00 +0.123 A ATOM 29 N LIG 1 -4.997 -1.105 1.336 0.00 0.00 -0.245 N ATOM 30 N LIG 1 -6.150 -1.813 1.339 0.00 0.00 -0.175 NA ATOM 31 C LIG 1 -6.136 -2.462 0.170 0.00 0.00 +0.062 A ATOM 32 C LIG 1 -7.258 -3.353 -0.206 0.00 0.00 +0.067 C ATOM 33 C LIG 1 -4.967 -2.181 -0.566 0.00 0.00 +0.068 A BRANCH 29 34 ATOM 34 C LIG 1 -4.630 -0.422 2.560 0.00 0.00 +0.217 C BRANCH 34 35 ATOM 35 C LIG 1 -4.461 1.069 2.400 0.00 0.00 +0.362 C ATOM 36 F LIG 1 -5.496 1.634 1.740 0.00 0.00 -0.207 F ATOM 37 F LIG 1 -3.333 1.344 1.688 0.00 0.00 -0.207 F ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6