REMARK Name = BDB010408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.071 0.325 0.469 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.060 1.239 0.175 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -1.192 2.559 0.584 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.135 3.325 0.203 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 0.657 2.515 -0.458 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -2.244 3.046 1.261 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.173 2.110 1.484 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.145 1.229 -0.495 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -3.142 0.814 1.127 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 1.831 2.818 -1.078 0.00 0.00 -0.293 N ATOM 11 C LIG 1 2.843 3.364 -0.123 0.00 0.00 +0.108 C ATOM 12 C LIG 1 3.886 4.353 -0.600 0.00 0.00 +0.141 C ATOM 13 O LIG 1 3.728 4.922 -1.922 0.00 0.00 -0.373 OA ATOM 14 C LIG 1 3.056 4.043 -2.831 0.00 0.00 +0.179 C ATOM 15 C LIG 1 2.839 4.774 0.394 0.00 0.00 +0.058 C ATOM 16 C LIG 1 1.678 3.659 -2.286 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 7 17 ATOM 17 C LIG 1 -4.369 2.573 2.223 0.00 0.00 +0.220 A ATOM 18 N LIG 1 -4.453 3.862 2.592 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -3.775 4.588 2.424 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 -5.617 4.008 3.236 0.00 0.00 +0.440 A ATOM 21 O LIG 1 -6.044 5.043 3.722 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 -6.255 2.792 3.261 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 -5.395 1.870 2.581 0.00 0.00 -0.051 NA ENDBRANCH 7 17 BRANCH 1 24 ATOM 24 N LIG 1 -2.035 -1.016 0.110 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -1.109 -1.415 0.157 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 -2.733 -2.319 2.074 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -3.077 -1.903 0.641 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 -3.227 -3.165 -0.221 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -3.397 -2.991 -1.757 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -2.647 -4.330 -1.917 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -1.989 -4.048 -0.550 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 8 32 ATOM 32 C LIG 1 0.763 0.126 -1.211 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 2.036 -0.444 -0.549 0.00 0.00 +0.009 C ATOM 34 C LIG 1 2.675 -1.534 -1.436 0.00 0.00 +0.005 C ATOM 35 C LIG 1 2.320 -2.943 -0.975 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.777 -3.220 0.468 0.00 0.00 -0.014 C ATOM 37 C LIG 1 4.126 -3.941 0.500 0.00 0.00 +0.007 C ATOM 38 C LIG 1 2.840 -1.942 1.323 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.782 -0.935 0.888 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 7