REMARK Name = BDB033848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.372 0.387 -0.177 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.437 0.564 0.920 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.339 1.415 1.467 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.196 -0.508 -1.005 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.720 -0.116 1.061 0.00 0.00 +0.159 C BRANCH 5 6 ATOM 6 C LIG 1 -2.768 0.980 1.337 0.00 0.00 +0.234 C ATOM 7 N LIG 1 -4.067 0.593 1.117 0.00 0.00 -0.303 N ATOM 8 H LIG 1 -4.269 -0.305 0.701 0.00 0.00 +0.150 HD ATOM 9 O LIG 1 -2.450 2.091 1.762 0.00 0.00 -0.274 OA BRANCH 7 10 ATOM 10 C LIG 1 -5.189 1.497 1.309 0.00 0.00 +0.134 C BRANCH 10 11 ATOM 11 C LIG 1 -5.454 2.392 0.100 0.00 0.00 -0.023 A ATOM 12 C LIG 1 -4.988 2.090 -1.192 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -5.263 2.940 -2.266 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.010 4.100 -2.069 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -6.486 4.412 -0.799 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.211 3.565 0.276 0.00 0.00 +0.006 A ENDBRANCH 10 11 BRANCH 10 17 ATOM 17 C LIG 1 -6.392 0.671 1.751 0.00 0.00 -0.023 A ATOM 18 C LIG 1 -6.587 0.422 3.122 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -7.646 -0.374 3.562 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.522 -0.941 2.639 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -8.336 -0.714 1.277 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -7.275 0.078 0.834 0.00 0.00 +0.006 A ENDBRANCH 10 17 ENDBRANCH 7 10 ENDBRANCH 5 6 BRANCH 5 23 ATOM 23 C LIG 1 -1.707 -1.118 2.220 0.00 0.00 +0.032 C BRANCH 23 24 ATOM 24 C LIG 1 -0.829 -2.351 1.982 0.00 0.00 +0.003 C BRANCH 24 25 ATOM 25 C LIG 1 -1.245 -3.246 0.806 0.00 0.00 +0.015 C BRANCH 25 26 ATOM 26 C LIG 1 -2.684 -3.764 0.835 0.00 0.00 +0.077 C BRANCH 26 27 ATOM 27 N LIG 1 -2.951 -4.587 2.006 0.00 0.00 -0.330 NA ATOM 28 H LIG 1 -3.908 -4.937 1.966 0.00 0.00 +0.118 HD ATOM 29 H LIG 1 -2.889 -4.029 2.856 0.00 0.00 +0.118 HD ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 5 23 ENDBRANCH 2 5 BRANCH 1 30 ATOM 30 C LIG 1 1.511 1.422 -0.316 0.00 0.00 +0.162 C BRANCH 30 32 ATOM 31 C LIG 1 3.812 0.946 -1.128 0.00 0.00 +0.234 C ATOM 32 N LIG 1 2.447 0.907 -1.310 0.00 0.00 -0.302 N ATOM 33 H LIG 1 2.044 0.334 -2.044 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 4.334 1.524 -0.175 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 4.624 0.206 -2.210 0.00 0.00 +0.165 C BRANCH 35 37 ATOM 36 C LIG 1 6.928 0.408 -3.095 0.00 0.00 +0.213 C ATOM 37 N LIG 1 6.036 0.539 -2.060 0.00 0.00 -0.304 N ATOM 38 H LIG 1 6.382 0.506 -1.105 0.00 0.00 +0.149 HD ATOM 39 O LIG 1 6.586 0.134 -4.240 0.00 0.00 -0.276 OA BRANCH 36 41 ATOM 40 C LIG 1 9.337 0.534 -3.827 0.00 0.00 +0.013 C ATOM 41 C LIG 1 8.362 0.648 -2.669 0.00 0.00 +0.092 C ENDBRANCH 36 41 ENDBRANCH 35 37 BRANCH 35 42 ATOM 42 C LIG 1 4.369 -1.311 -2.170 0.00 0.00 +0.087 C BRANCH 42 43 ATOM 43 C LIG 1 4.573 -1.926 -0.803 0.00 0.00 +0.044 A ATOM 44 N LIG 1 5.785 -1.755 -0.221 0.00 0.00 -0.259 NA ATOM 45 C LIG 1 5.964 -2.295 1.008 0.00 0.00 +0.119 A ATOM 46 C LIG 1 5.000 -3.025 1.702 0.00 0.00 +0.000 A ATOM 47 C LIG 1 3.755 -3.207 1.072 0.00 0.00 -0.015 A ATOM 48 C LIG 1 2.758 -3.943 1.734 0.00 0.00 +0.008 A ATOM 49 C LIG 1 2.986 -4.475 3.005 0.00 0.00 +0.001 A ATOM 50 C LIG 1 4.216 -4.286 3.629 0.00 0.00 +0.001 A ATOM 51 C LIG 1 5.223 -3.569 2.981 0.00 0.00 +0.010 A ATOM 52 C LIG 1 3.546 -2.646 -0.195 0.00 0.00 +0.032 A ENDBRANCH 42 43 ENDBRANCH 35 42 ENDBRANCH 31 35 ENDBRANCH 30 32 BRANCH 30 53 ATOM 53 C LIG 1 0.956 2.824 -0.680 0.00 0.00 +0.015 C ATOM 54 C LIG 1 2.052 3.890 -0.557 0.00 0.00 +0.010 C BRANCH 53 55 ATOM 55 C LIG 1 0.294 2.847 -2.077 0.00 0.00 +0.002 C ATOM 56 C LIG 1 -0.440 4.146 -2.378 0.00 0.00 +0.004 C ENDBRANCH 53 55 ENDBRANCH 30 53 ENDBRANCH 1 30 TORSDOF 19