REMARK Name = BDB042184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.172 1.252 0.733 0.00 0.00 +0.122 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.816 0.557 -0.071 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.167 0.810 -1.268 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.646 0.853 -2.384 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.746 0.977 -0.953 0.00 0.00 +0.044 A ATOM 6 C LIG 1 3.578 0.767 0.415 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.319 0.849 0.984 0.00 0.00 +0.013 A ATOM 8 C LIG 1 1.222 1.143 0.150 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.433 1.350 -1.230 0.00 0.00 +0.129 A ATOM 10 F LIG 1 0.390 1.627 -2.026 0.00 0.00 -0.205 F ATOM 11 C LIG 1 2.698 1.267 -1.802 0.00 0.00 +0.052 A ATOM 12 C LIG 1 4.893 0.463 1.055 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 10.503 -1.929 1.404 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.555 -1.302 0.941 0.00 0.00 +0.219 C ATOM 15 N LIG 1 9.133 -0.131 1.517 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.616 0.131 2.367 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.957 0.542 1.274 0.00 0.00 +0.240 C ATOM 18 O LIG 1 7.581 1.418 2.049 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 7.216 0.145 -0.014 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.348 -1.364 -0.231 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.817 -1.748 -0.297 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.598 0.025 1.436 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 -1.854 0.264 2.188 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -3.181 -0.115 1.471 0.00 0.00 +0.100 C ATOM 25 N LIG 1 -3.063 -0.023 0.015 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -2.007 -0.916 -0.488 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -0.817 -1.095 0.496 0.00 0.00 +0.100 C BRANCH 25 28 ATOM 28 C LIG 1 -4.317 -0.076 -0.767 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -5.092 1.259 -0.772 0.00 0.00 -0.023 A ATOM 30 C LIG 1 -6.391 1.327 -1.311 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -7.078 2.538 -1.359 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -8.319 2.570 -1.863 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -6.497 3.712 -0.901 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -5.201 3.678 -0.398 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -4.503 2.466 -0.344 0.00 0.00 +0.006 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -5.180 -1.309 -0.467 0.00 0.00 -0.023 A ATOM 37 C LIG 1 -5.109 -2.433 -1.306 0.00 0.00 +0.043 A ATOM 38 C LIG 1 -5.883 -3.559 -1.040 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -5.797 -4.622 -1.852 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -6.742 -3.599 0.050 0.00 0.00 +0.038 A ATOM 41 C LIG 1 -6.830 -2.494 0.892 0.00 0.00 +0.003 A ATOM 42 C LIG 1 -6.056 -1.358 0.636 0.00 0.00 +0.006 A ENDBRANCH 28 36 ENDBRANCH 25 28 ENDBRANCH 1 22 TORSDOF 6