REMARK Name = BDB024174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.592 -1.103 -0.971 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.534 -2.624 -0.932 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.637 -3.324 0.282 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.536 -4.715 0.312 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.329 -5.424 -0.870 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.227 -4.744 -2.082 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.328 -3.352 -2.115 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.838 -1.179 -0.401 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.735 -2.168 -0.575 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.292 -0.385 -0.471 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.343 0.821 -0.215 0.00 0.00 -0.273 OA BRANCH 8 17 ATOM 12 C LIG 1 -3.793 2.384 0.872 0.00 0.00 +0.066 C ATOM 13 C LIG 1 -3.627 0.922 0.575 0.00 0.00 +0.048 A ATOM 14 C LIG 1 -4.685 0.012 0.662 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -4.407 -1.330 0.397 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -3.114 -1.716 0.044 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -2.119 -0.750 -0.034 0.00 0.00 +0.125 A ATOM 18 N LIG 1 -2.369 0.544 0.221 0.00 0.00 -0.236 NA BRANCH 14 19 ATOM 19 C LIG 1 -6.032 0.388 1.028 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -6.840 1.237 0.302 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -8.028 1.292 0.972 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -9.195 2.060 0.610 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -8.060 0.518 2.073 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -6.844 -0.034 2.103 0.00 0.00 +0.143 A ENDBRANCH 14 19 ENDBRANCH 8 17 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.734 -0.578 -0.181 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 2.543 0.420 -0.022 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 4.010 -0.713 -0.894 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 5.178 -0.090 -0.089 0.00 0.00 +0.030 C ATOM 29 C LIG 1 6.520 -0.431 -0.749 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 5.025 1.415 0.093 0.00 0.00 -0.043 A ATOM 31 C LIG 1 5.090 2.303 -0.992 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.930 3.678 -0.798 0.00 0.00 +0.019 A ATOM 33 C LIG 1 4.697 4.185 0.483 0.00 0.00 +0.052 A ATOM 34 C LIG 1 4.626 3.311 1.569 0.00 0.00 +0.019 A ATOM 35 C LIG 1 4.788 1.936 1.375 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 4.536 5.596 0.680 0.00 0.00 +0.099 C ATOM 37 N LIG 1 4.415 6.740 0.837 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9