REMARK Name = BDB031841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.253 -2.595 -0.565 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.746 -1.632 -1.459 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.450 -1.144 -1.257 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.374 -1.574 -0.226 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.587 -0.828 -0.379 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.517 -0.019 -1.441 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.117 -2.554 0.657 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.288 -0.215 -1.933 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.010 0.320 -2.746 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.417 -3.049 0.469 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.419 1.375 0.601 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.149 -0.000 0.537 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.897 -0.804 -0.310 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.883 -2.275 -0.621 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.649 -3.145 -0.747 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.021 -2.452 -1.601 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.567 -1.200 -1.820 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.351 -1.049 -2.435 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.369 -3.511 -2.094 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.586 -3.301 0.434 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.923 -0.218 -1.065 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.220 1.127 -1.025 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.450 1.931 -0.178 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.782 3.475 1.525 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.613 2.065 1.466 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.635 -1.000 0.459 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -2.540 -1.640 1.237 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.795 -0.203 0.637 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -4.816 -0.721 1.434 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -5.940 0.068 1.535 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -6.083 1.258 0.919 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -5.051 1.683 0.175 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -3.918 0.988 0.022 0.00 0.00 -0.195 NA BRANCH 32 34 ATOM 34 N LIG 1 -5.161 2.916 -0.473 0.00 0.00 -0.288 N ATOM 35 C LIG 1 -4.440 3.268 -1.661 0.00 0.00 +0.185 C ATOM 36 C LIG 1 -5.548 4.293 -1.956 0.00 0.00 +0.280 C ATOM 37 F LIG 1 -5.284 5.578 -1.615 0.00 0.00 -0.202 F ATOM 38 F LIG 1 -6.013 4.321 -3.229 0.00 0.00 -0.202 F ATOM 39 C LIG 1 -6.385 3.483 -0.949 0.00 0.00 +0.185 C ENDBRANCH 32 34 BRANCH 29 40 ATOM 40 O LIG 1 -4.602 -1.928 2.041 0.00 0.00 -0.490 OA ATOM 41 C LIG 1 -5.694 -2.474 2.773 0.00 0.00 +0.277 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6