REMARK Name = BDB023010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.722 -1.465 1.175 0.00 0.00 +0.119 A ATOM 2 N LIG 1 3.418 -2.775 1.215 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 2.115 -3.120 1.119 0.00 0.00 +0.117 A ATOM 4 C LIG 1 1.077 -2.211 0.976 0.00 0.00 -0.023 A ATOM 5 C LIG 1 -0.351 -2.663 0.896 0.00 0.00 +0.059 C ATOM 6 C LIG 1 -1.262 -1.600 0.258 0.00 0.00 +0.078 C ATOM 7 N LIG 1 -1.038 -0.288 0.889 0.00 0.00 -0.294 N ATOM 8 C LIG 1 0.339 0.216 0.837 0.00 0.00 +0.143 C ATOM 9 C LIG 1 -2.010 0.657 1.200 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -1.702 1.851 1.307 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -1.080 -1.534 -1.267 0.00 0.00 +0.028 C ATOM 12 C LIG 1 1.397 -0.851 0.968 0.00 0.00 -0.022 A ATOM 13 C LIG 1 2.744 -0.483 1.066 0.00 0.00 +0.049 A ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -3.460 0.257 1.493 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.287 -0.132 0.249 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.308 -1.256 0.578 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.941 -1.069 1.886 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -7.043 -2.001 2.103 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -4.999 -1.073 3.009 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.547 -0.780 2.619 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.896 1.105 -0.410 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.173 1.774 -1.414 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -4.679 2.926 -2.032 0.00 0.00 -0.050 A ATOM 24 C LIG 1 -3.901 3.607 -3.119 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -5.937 3.405 -1.655 0.00 0.00 +0.003 A ATOM 26 C LIG 1 -6.659 2.762 -0.651 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.140 1.626 -0.028 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 28 ATOM 28 N LIG 1 5.075 -1.166 1.288 0.00 0.00 -0.326 N ATOM 29 H LIG 1 5.531 -2.075 1.357 0.00 0.00 +0.148 HD BRANCH 28 33 ATOM 30 C LIG 1 7.360 0.842 -1.697 0.00 0.00 +0.118 C ATOM 31 C LIG 1 6.419 -0.263 -2.201 0.00 0.00 +0.033 C ATOM 32 C LIG 1 5.794 -1.104 -1.080 0.00 0.00 +0.025 C ATOM 33 C LIG 1 5.664 -0.328 0.237 0.00 0.00 +0.072 C ATOM 34 C LIG 1 7.047 0.147 0.727 0.00 0.00 +0.025 C ATOM 35 C LIG 1 8.048 0.400 -0.406 0.00 0.00 +0.033 C BRANCH 30 37 ATOM 36 C LIG 1 7.320 3.211 -1.394 0.00 0.00 +0.194 C ATOM 37 O LIG 1 6.561 2.012 -1.479 0.00 0.00 -0.380 OA ENDBRANCH 30 37 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 5