REMARK Name = BDB039217 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.551 -2.257 0.302 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.793 -1.129 0.045 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.396 -1.156 0.446 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.552 -0.051 -0.141 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.101 0.983 -0.949 0.00 0.00 -0.025 A ATOM 6 C LIG 1 2.255 1.963 -1.518 0.00 0.00 +0.064 A ATOM 7 C LIG 1 0.871 1.965 -1.252 0.00 0.00 +0.043 A ATOM 8 C LIG 1 0.357 0.962 -0.420 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.917 0.669 0.044 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.824 -0.474 0.820 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.427 -0.890 0.876 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.593 0.973 -1.212 0.00 0.00 +0.055 C ATOM 13 C LIG 1 1.166 -0.026 0.120 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.379 0.183 -0.169 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.087 -3.319 0.703 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.955 -1.182 1.521 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.015 -2.668 1.105 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -1.320 -3.584 2.107 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.943 -3.484 3.500 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -2.541 -2.109 3.806 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.823 -1.001 3.047 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.689 -3.213 0.303 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.877 -2.065 0.060 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.109 1.456 -0.288 0.00 0.00 +0.090 C ATOM 25 C LIG 1 -2.800 2.038 0.950 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -3.047 0.689 -1.242 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -4.069 1.578 -1.911 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -3.707 2.371 -3.009 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -4.645 3.206 -3.618 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.951 3.256 -3.136 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.322 2.471 -2.046 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.386 1.635 -1.435 0.00 0.00 +0.004 A ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 BRANCH 6 33 ATOM 33 C LIG 1 2.789 3.001 -2.448 0.00 0.00 +0.337 C ATOM 34 O LIG 1 3.798 2.938 -3.122 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 2.017 4.105 -2.476 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 2.485 4.699 -3.100 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 6 33 TORSDOF 7