REMARK Name = BDB015238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.880 -0.897 4.415 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -0.807 -0.171 3.635 0.00 0.00 +0.217 C ATOM 3 N LIG 1 -0.188 -0.896 2.602 0.00 0.00 -0.269 N ATOM 4 O LIG 1 -0.519 0.983 3.959 0.00 0.00 -0.276 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.168 -0.599 2.172 0.00 0.00 +0.037 A ATOM 6 C LIG 1 1.726 -1.184 1.018 0.00 0.00 +0.032 A ATOM 7 C LIG 1 3.045 -0.921 0.588 0.00 0.00 -0.016 A ATOM 8 C LIG 1 3.833 -0.058 1.357 0.00 0.00 +0.008 A ATOM 9 C LIG 1 3.321 0.513 2.516 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.009 0.239 2.918 0.00 0.00 +0.023 A BRANCH 7 11 ATOM 11 C LIG 1 3.577 -1.537 -0.641 0.00 0.00 -0.016 A ATOM 12 C LIG 1 4.109 -0.730 -1.667 0.00 0.00 +0.036 A ATOM 13 C LIG 1 4.596 -1.363 -2.819 0.00 0.00 +0.069 A ATOM 14 C LIG 1 4.575 -2.744 -2.986 0.00 0.00 +0.089 A ATOM 15 N LIG 1 5.108 -3.103 -4.200 0.00 0.00 -0.236 NA ATOM 16 C LIG 1 5.452 -1.972 -4.772 0.00 0.00 +0.200 A ATOM 17 C LIG 1 4.048 -3.549 -1.969 0.00 0.00 +0.030 A ATOM 18 N LIG 1 5.163 -0.898 -3.980 0.00 0.00 -0.333 N ATOM 19 C LIG 1 5.413 0.482 -4.310 0.00 0.00 +0.150 C ATOM 20 C LIG 1 3.555 -2.934 -0.808 0.00 0.00 +0.011 A ENDBRANCH 7 11 ENDBRANCH 3 5 BRANCH 3 21 ATOM 21 C LIG 1 -0.974 -1.881 1.828 0.00 0.00 +0.146 C BRANCH 21 22 ATOM 22 C LIG 1 -1.510 -1.340 0.479 0.00 0.00 +0.146 C BRANCH 22 23 ATOM 23 O LIG 1 -1.467 -2.420 -0.473 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -1.656 -2.039 -1.349 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -2.962 -0.809 0.542 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -3.208 0.302 1.470 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -2.507 1.551 1.107 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -3.110 2.292 -0.067 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -4.467 2.130 -0.400 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -5.012 2.857 -1.467 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.222 3.756 -2.183 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.883 3.932 -1.843 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.319 1.131 0.344 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -2.329 3.208 -0.787 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -4.645 0.596 1.617 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7