REMARK Name = BDB057743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.131 -1.678 1.483 0.00 0.00 +0.162 C ATOM 2 N LIG 1 -1.178 -2.313 1.304 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -2.387 -1.717 1.030 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -3.377 -2.396 0.727 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -1.065 -3.763 1.320 0.00 0.00 +0.109 C ATOM 6 C LIG 1 0.415 -4.049 1.531 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.936 -2.774 2.186 0.00 0.00 +0.033 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 2.043 -0.752 0.250 0.00 0.00 -0.304 N ATOM 9 H LIG 1 2.442 -0.591 1.165 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.782 -1.293 0.128 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.222 -1.450 -0.952 0.00 0.00 -0.274 OA BRANCH 8 13 ATOM 12 C LIG 1 2.819 1.012 -1.323 0.00 0.00 +0.144 C ATOM 13 C LIG 1 2.914 -0.485 -0.904 0.00 0.00 +0.132 C ATOM 14 C LIG 1 4.320 -0.957 -0.544 0.00 0.00 -0.022 A ATOM 15 C LIG 1 5.431 -0.095 -0.585 0.00 0.00 -0.042 A ATOM 16 C LIG 1 6.696 -0.575 -0.211 0.00 0.00 +0.004 A ATOM 17 C LIG 1 6.870 -1.905 0.170 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.781 -2.772 0.185 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.280 1.344 -0.998 0.00 0.00 +0.038 C ATOM 20 C LIG 1 4.517 -2.305 -0.175 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.115 1.509 -1.961 0.00 0.00 +0.038 C BRANCH 12 22 ATOM 22 O LIG 1 1.794 1.179 -2.318 0.00 0.00 -0.362 OA BRANCH 22 23 ATOM 23 C LIG 1 0.628 1.842 -1.830 0.00 0.00 +0.248 C BRANCH 23 25 ATOM 24 C LIG 1 0.996 4.487 -1.885 0.00 0.00 +0.006 C ATOM 25 C LIG 1 0.833 3.297 -1.863 0.00 0.00 -0.077 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 12 22 ENDBRANCH 8 13 ENDBRANCH 1 10 BRANCH 3 26 ATOM 26 C LIG 1 -2.515 -0.178 1.145 0.00 0.00 +0.164 C BRANCH 26 27 ATOM 27 C LIG 1 -3.103 0.289 2.521 0.00 0.00 -0.011 C ATOM 28 C LIG 1 -2.183 -0.121 3.687 0.00 0.00 +0.013 C ATOM 29 C LIG 1 -4.505 -0.299 2.784 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -3.216 1.831 2.552 0.00 0.00 +0.013 C ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 N LIG 1 -3.369 0.207 0.019 0.00 0.00 -0.302 N ATOM 32 H LIG 1 -4.041 -0.489 -0.289 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 -3.107 1.306 -0.772 0.00 0.00 +0.230 C ATOM 34 O LIG 1 -2.188 2.079 -0.514 0.00 0.00 -0.274 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.050 1.421 -1.994 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -3.569 0.509 -3.121 0.00 0.00 +0.034 C BRANCH 35 37 ATOM 37 N LIG 1 -4.311 2.818 -2.401 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 -5.100 2.826 -3.047 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 -3.188 3.491 -3.046 0.00 0.00 +0.101 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 26 31 ENDBRANCH 3 26 TORSDOF 10