REMARK Name = BDB058134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.706 -0.515 0.740 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.229 -0.891 1.708 0.00 0.00 +0.015 A ATOM 3 C LIG 1 1.597 -0.730 1.465 0.00 0.00 +0.024 A ATOM 4 C LIG 1 2.069 -0.204 0.251 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.120 0.151 -0.713 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -0.254 -0.005 -0.480 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -3.028 0.168 0.429 0.00 0.00 -0.308 N ATOM 8 H LIG 1 -2.676 0.888 -0.185 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -2.151 -0.705 1.041 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -2.505 -1.586 1.816 0.00 0.00 -0.270 OA BRANCH 7 18 ATOM 11 C LIG 1 -7.280 2.584 -0.201 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -6.704 1.277 0.397 0.00 0.00 +0.043 C ATOM 13 N LIG 1 -7.177 0.166 -0.455 0.00 0.00 -0.180 NA ATOM 14 C LIG 1 -6.552 -1.168 -0.316 0.00 0.00 +0.043 C ATOM 15 C LIG 1 -6.995 -2.007 -1.540 0.00 0.00 +0.030 C ATOM 16 C LIG 1 -6.955 -1.961 0.945 0.00 0.00 +0.030 C ATOM 17 C LIG 1 -5.015 -1.026 -0.388 0.00 0.00 +0.046 C ATOM 18 C LIG 1 -4.475 0.032 0.578 0.00 0.00 +0.077 C ATOM 19 C LIG 1 -5.163 1.371 0.308 0.00 0.00 +0.046 C ATOM 20 C LIG 1 -7.152 1.220 1.872 0.00 0.00 +0.030 C BRANCH 13 21 ATOM 21 O LIG 1 -8.614 0.030 -0.293 0.00 0.00 -0.311 OA ATOM 22 H LIG 1 -8.933 0.252 -1.188 0.00 0.00 +0.237 HD ENDBRANCH 13 21 ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 N LIG 1 3.450 -0.064 0.077 0.00 0.00 -0.284 N ATOM 24 H LIG 1 4.039 -0.388 0.832 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 4.253 0.437 -0.940 0.00 0.00 +0.221 A ATOM 26 N LIG 1 5.576 0.358 -0.707 0.00 0.00 -0.197 NA ATOM 27 C LIG 1 6.453 0.829 -1.622 0.00 0.00 +0.159 A ATOM 28 C LIG 1 5.977 1.385 -2.795 0.00 0.00 +0.184 A ATOM 29 C LIG 1 4.616 1.427 -2.977 0.00 0.00 +0.150 A ATOM 30 N LIG 1 3.744 0.962 -2.062 0.00 0.00 -0.220 NA BRANCH 28 31 ATOM 31 N LIG 1 6.841 1.939 -3.804 0.00 0.00 +0.061 N ATOM 32 O LIG 1 6.453 1.889 -4.979 0.00 0.00 -0.126 OA ATOM 33 O LIG 1 7.903 2.459 -3.430 0.00 0.00 -0.126 OA ENDBRANCH 28 31 BRANCH 27 34 ATOM 34 N LIG 1 7.841 0.687 -1.388 0.00 0.00 -0.297 N ATOM 35 H LIG 1 8.354 1.516 -1.694 0.00 0.00 +0.154 HD BRANCH 34 36 ATOM 36 C LIG 1 8.524 -0.015 -0.372 0.00 0.00 +0.033 A ATOM 37 C LIG 1 9.842 0.362 -0.058 0.00 0.00 +0.027 A ATOM 38 C LIG 1 10.582 -0.322 0.913 0.00 0.00 +0.047 A ATOM 39 C LIG 1 10.011 -1.407 1.564 0.00 0.00 +0.117 A ATOM 40 C LIG 1 8.724 -1.819 1.253 0.00 0.00 +0.047 A ATOM 41 C LIG 1 7.989 -1.130 0.283 0.00 0.00 +0.027 A BRANCH 39 42 ATOM 42 O LIG 1 10.692 -2.106 2.515 0.00 0.00 -0.507 OA ATOM 43 H LIG 1 11.572 -1.710 2.622 0.00 0.00 +0.292 HD ENDBRANCH 39 42 ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 9