REMARK Name = BDB011855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.760 -0.227 0.212 0.00 0.00 +0.180 C ATOM 2 C LIG 1 1.566 -1.583 0.912 0.00 0.00 +0.108 C ATOM 3 C LIG 1 2.598 -2.601 0.393 0.00 0.00 +0.031 C ATOM 4 N LIG 1 0.205 -2.157 0.797 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.312 -3.090 1.709 0.00 0.00 +0.217 C ATOM 6 O LIG 1 -1.360 -3.715 1.540 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 0.435 -3.264 3.011 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -0.458 -1.971 -0.460 0.00 0.00 +0.058 A ATOM 9 C LIG 1 -0.840 -0.682 -0.907 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -1.523 -0.576 -2.129 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -1.829 -1.706 -2.890 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -1.467 -2.968 -2.437 0.00 0.00 +0.002 A ATOM 13 N LIG 1 -0.613 0.487 -0.107 0.00 0.00 -0.264 N ATOM 14 C LIG 1 -0.790 -3.099 -1.227 0.00 0.00 +0.025 A ATOM 15 C LIG 1 0.594 0.711 0.549 0.00 0.00 +0.242 C ATOM 16 O LIG 1 0.771 1.651 1.334 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 4.133 0.482 -0.083 0.00 0.00 +0.230 C ATOM 18 N LIG 1 2.981 0.461 0.667 0.00 0.00 -0.301 N ATOM 19 H LIG 1 2.837 1.167 1.384 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 4.264 -0.224 -1.083 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 5.275 1.375 0.476 0.00 0.00 +0.137 C ATOM 22 C LIG 1 4.822 2.800 0.790 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 6.326 2.128 -1.629 0.00 0.00 +0.101 C ATOM 24 N LIG 1 6.458 1.324 -0.419 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 6.566 0.347 -0.710 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 13 26 ATOM 26 C LIG 1 -1.604 1.579 -0.089 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 C LIG 1 -3.041 1.166 0.205 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -4.107 1.450 -0.712 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.397 0.970 -0.379 0.00 0.00 +0.071 A ATOM 30 C LIG 1 -6.461 1.198 -1.240 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -6.311 1.905 -2.432 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -5.066 2.404 -2.773 0.00 0.00 +0.001 A ATOM 33 N LIG 1 -5.663 0.298 0.745 0.00 0.00 -0.255 NA ATOM 34 C LIG 1 -4.655 0.090 1.613 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -3.980 2.183 -1.924 0.00 0.00 +0.010 A ATOM 36 C LIG 1 -3.349 0.518 1.421 0.00 0.00 -0.027 A ATOM 37 C LIG 1 -2.345 0.245 2.503 0.00 0.00 +0.045 C ENDBRANCH 26 27 ENDBRANCH 13 26 TORSDOF 5