REMARK Name = BDB064479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.317 0.093 -0.329 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -0.959 1.141 0.758 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -0.001 1.046 1.530 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.752 2.263 0.828 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -1.338 3.010 1.370 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.923 2.506 0.095 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.785 1.502 -0.378 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -4.882 1.852 -1.183 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -5.156 3.191 -1.463 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.344 4.189 -0.932 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -3.646 0.071 0.043 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -3.237 3.849 -0.152 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -2.536 -0.589 0.077 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.876 -0.665 0.477 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.021 -2.012 0.123 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -6.155 -2.722 0.519 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.141 -2.092 1.278 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.992 -0.755 1.649 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.859 -0.041 1.254 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 21 ATOM 20 C LIG 1 0.705 -0.863 -1.342 0.00 0.00 +0.246 C ATOM 21 N LIG 1 -0.308 -0.925 -0.420 0.00 0.00 -0.282 N ATOM 22 H LIG 1 -0.295 -1.608 0.322 0.00 0.00 +0.151 HD ATOM 23 O LIG 1 0.796 -0.021 -2.225 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 2.670 -2.050 -0.283 0.00 0.00 -0.021 A ATOM 25 C LIG 1 1.661 -1.989 -1.261 0.00 0.00 +0.041 A ATOM 26 C LIG 1 1.488 -3.027 -2.187 0.00 0.00 +0.013 A ATOM 27 C LIG 1 2.311 -4.150 -2.135 0.00 0.00 +0.001 A ATOM 28 C LIG 1 3.303 -4.237 -1.160 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.483 -3.197 -0.244 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 2.926 -0.913 0.683 0.00 0.00 +0.120 C BRANCH 30 36 ATOM 31 C LIG 1 7.377 0.539 0.512 0.00 0.00 +0.039 C ATOM 32 C LIG 1 5.901 0.758 0.817 0.00 0.00 +0.129 C ATOM 33 O LIG 1 5.680 2.178 0.876 0.00 0.00 -0.374 OA ATOM 34 C LIG 1 4.351 2.558 0.488 0.00 0.00 +0.175 C ATOM 35 C LIG 1 3.310 1.474 0.796 0.00 0.00 +0.113 C ATOM 36 N LIG 1 3.562 0.236 0.032 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 5.004 0.057 -0.228 0.00 0.00 +0.116 C ENDBRANCH 30 36 ENDBRANCH 24 30 ENDBRANCH 20 25 ENDBRANCH 1 21 TORSDOF 5