REMARK Name = BDB042088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.154 0.985 -0.494 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.778 -0.340 -0.073 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.073 -1.334 -0.746 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.494 -2.379 -1.203 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.672 -0.905 -0.804 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.552 0.272 -0.073 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.324 0.898 0.042 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.208 0.319 -0.592 0.00 0.00 -0.033 A ATOM 9 C LIG 1 1.359 -0.880 -1.329 0.00 0.00 +0.005 A ATOM 10 C LIG 1 2.602 -1.506 -1.438 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.869 0.640 0.520 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.212 2.591 -1.403 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.710 1.605 -0.870 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.454 1.590 0.478 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.713 2.428 0.980 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.681 0.690 1.172 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.326 0.942 2.323 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 7.159 -0.525 0.387 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.144 -0.824 -0.750 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.287 0.389 -1.656 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.611 1.173 0.896 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -0.874 -0.117 1.570 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -2.064 -0.937 1.001 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -3.074 -0.115 0.304 0.00 0.00 -0.288 NA ATOM 25 C LIG 1 -3.195 1.194 0.953 0.00 0.00 +0.101 C ATOM 26 C LIG 1 -1.854 1.982 0.927 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -4.345 -0.856 0.080 0.00 0.00 +0.136 C BRANCH 27 28 ATOM 28 C LIG 1 -5.266 -0.941 1.314 0.00 0.00 +0.063 A ATOM 29 N LIG 1 -5.115 -2.025 2.125 0.00 0.00 -0.258 NA ATOM 30 C LIG 1 -5.905 -2.108 3.219 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -6.850 -1.158 3.561 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -6.999 -0.054 2.732 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -6.200 0.060 1.597 0.00 0.00 +0.025 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -5.073 -0.454 -1.220 0.00 0.00 -0.024 A ATOM 35 C LIG 1 -4.571 0.512 -2.109 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.251 0.829 -3.289 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.436 0.176 -3.611 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.939 -0.804 -2.761 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.260 -1.122 -1.583 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6