REMARK Name = BDB031160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.241 -0.992 -1.669 0.00 0.00 +0.144 C ATOM 2 N LIG 1 1.524 -1.712 -1.669 0.00 0.00 -0.288 N ATOM 3 C LIG 1 2.642 -1.512 -0.879 0.00 0.00 +0.227 C ATOM 4 O LIG 1 3.672 -2.157 -1.099 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 1.596 -2.619 -2.805 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.529 -2.109 -3.771 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.554 -1.600 -2.837 0.00 0.00 +0.063 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -1.909 -0.673 1.275 0.00 0.00 +0.067 A ATOM 9 N LIG 1 -1.337 -0.210 0.110 0.00 0.00 -0.340 N ATOM 10 H LIG 1 -1.533 0.690 -0.321 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -0.511 -1.185 -0.390 0.00 0.00 +0.128 A ATOM 12 N LIG 1 -0.505 -2.239 0.403 0.00 0.00 -0.238 NA ATOM 13 C LIG 1 -1.354 -1.929 1.433 0.00 0.00 +0.139 A BRANCH 8 15 ATOM 14 C LIG 1 -3.860 0.919 1.573 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.845 0.096 2.098 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -2.739 0.001 3.497 0.00 0.00 +0.011 A ATOM 17 C LIG 1 -3.598 0.713 4.340 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -4.583 1.537 3.802 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.713 1.645 2.420 0.00 0.00 +0.014 A BRANCH 14 23 ATOM 20 C LIG 1 -6.142 -0.337 0.166 0.00 0.00 +0.128 C ATOM 21 N LIG 1 -5.218 0.589 -0.449 0.00 0.00 -0.314 N ATOM 22 H LIG 1 -5.240 0.682 -1.458 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -4.066 1.075 0.116 0.00 0.00 +0.244 C ATOM 24 O LIG 1 -3.208 1.626 -0.570 0.00 0.00 -0.270 OA ENDBRANCH 14 23 ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 6 25 ATOM 25 O LIG 1 1.009 -1.013 -4.551 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 1.812 -1.311 -5.015 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 2.587 -0.456 0.240 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 C LIG 1 2.599 0.905 -0.378 0.00 0.00 +0.153 A ATOM 29 O LIG 1 1.739 1.813 0.169 0.00 0.00 -0.355 OA ATOM 30 N LIG 1 1.833 3.011 -0.520 0.00 0.00 -0.040 NA ATOM 31 C LIG 1 2.756 2.800 -1.460 0.00 0.00 +0.255 A ATOM 32 C LIG 1 3.273 1.497 -1.421 0.00 0.00 +0.115 A BRANCH 31 33 ATOM 33 O LIG 1 3.121 3.761 -2.338 0.00 0.00 -0.478 OA ATOM 34 C LIG 1 2.421 4.990 -2.182 0.00 0.00 +0.279 C ENDBRANCH 31 33 ENDBRANCH 27 28 BRANCH 27 35 ATOM 35 C LIG 1 3.670 -0.588 1.348 0.00 0.00 +0.002 C ATOM 36 C LIG 1 5.121 -0.388 0.898 0.00 0.00 +0.008 C ATOM 37 C LIG 1 3.532 -1.919 2.099 0.00 0.00 +0.008 C ENDBRANCH 27 35 ENDBRANCH 3 27 TORSDOF 8