REMARK Name = BDB056152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.239 -2.318 1.167 0.00 0.00 -0.022 A ATOM 2 C LIG 1 4.132 -1.717 2.428 0.00 0.00 +0.035 A ATOM 3 C LIG 1 2.941 -1.042 2.720 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.871 -0.955 1.834 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.879 -0.197 2.535 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.323 0.189 3.740 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.004 -1.558 0.566 0.00 0.00 +0.013 A ATOM 8 N LIG 1 2.547 -0.349 3.829 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.076 -0.196 4.680 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.189 -2.238 0.248 0.00 0.00 +0.009 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 6.739 1.256 -0.707 0.00 0.00 +0.121 A ATOM 12 C LIG 1 6.131 0.103 -0.188 0.00 0.00 +0.056 A ATOM 13 C LIG 1 6.832 -1.089 -0.212 0.00 0.00 +0.012 A ATOM 14 C LIG 1 6.540 -2.458 0.223 0.00 0.00 +0.047 C ATOM 15 C LIG 1 7.750 -3.296 -0.097 0.00 0.00 +0.249 C ATOM 16 N LIG 1 8.649 -2.416 -0.677 0.00 0.00 -0.281 N ATOM 17 H LIG 1 9.561 -2.702 -0.997 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 7.907 -4.483 0.108 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 5.469 -3.019 0.803 0.00 0.00 +0.021 C ATOM 20 C LIG 1 8.123 -1.129 -0.748 0.00 0.00 +0.042 A ATOM 21 C LIG 1 8.748 -0.013 -1.265 0.00 0.00 +0.027 A ATOM 22 C LIG 1 8.040 1.194 -1.241 0.00 0.00 +0.047 A BRANCH 11 24 ATOM 23 C LIG 1 6.510 3.584 -1.161 0.00 0.00 +0.277 C ATOM 24 O LIG 1 5.962 2.381 -0.635 0.00 0.00 -0.495 OA ENDBRANCH 11 24 ENDBRANCH 1 19 BRANCH 5 25 ATOM 25 C LIG 1 -0.427 0.178 2.078 0.00 0.00 +0.031 C ATOM 26 C LIG 1 -1.223 -0.532 1.261 0.00 0.00 +0.011 C BRANCH 26 27 ATOM 27 C LIG 1 -2.564 -0.107 0.843 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -3.039 -0.434 -0.420 0.00 0.00 +0.120 A ATOM 29 N LIG 1 -4.271 -0.115 -0.891 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 -5.122 0.550 -0.081 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -4.719 0.918 1.203 0.00 0.00 +0.044 A ATOM 32 C LIG 1 -3.445 0.581 1.671 0.00 0.00 +0.013 A BRANCH 30 33 ATOM 33 N LIG 1 -6.380 0.896 -0.563 0.00 0.00 -0.313 N ATOM 34 C LIG 1 -6.638 0.582 -1.978 0.00 0.00 +0.122 C ATOM 35 C LIG 1 -8.000 1.177 -2.398 0.00 0.00 +0.103 C ATOM 36 N LIG 1 -9.159 0.642 -1.645 0.00 0.00 -0.302 NA ATOM 37 C LIG 1 -10.197 1.659 -1.508 0.00 0.00 +0.105 C ATOM 38 C LIG 1 -8.744 0.097 -0.336 0.00 0.00 +0.103 C ATOM 39 C LIG 1 -7.539 0.794 0.341 0.00 0.00 +0.122 C ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 5 25 TORSDOF 5