REMARK Name = BDB053459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.220 0.319 0.193 0.00 0.00 +0.073 A ATOM 2 N LIG 1 1.188 -0.540 0.398 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -0.075 -0.143 0.227 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.370 1.151 -0.172 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -1.727 1.447 -0.324 0.00 0.00 +0.136 A ATOM 6 N LIG 1 -2.674 0.528 -0.093 0.00 0.00 -0.199 NA ATOM 7 C LIG 1 -2.304 -0.698 0.294 0.00 0.00 +0.222 A ATOM 8 C LIG 1 0.692 2.056 -0.376 0.00 0.00 +0.017 A ATOM 9 N LIG 1 -1.024 -1.038 0.451 0.00 0.00 -0.194 NA ATOM 10 C LIG 1 2.000 1.635 -0.190 0.00 0.00 +0.029 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -3.292 -1.648 0.564 0.00 0.00 -0.292 N ATOM 12 C LIG 1 -2.859 -3.057 0.389 0.00 0.00 +0.099 C ATOM 13 C LIG 1 -2.358 -3.616 1.720 0.00 0.00 +0.030 C ATOM 14 C LIG 1 -4.033 -3.927 -0.125 0.00 0.00 +0.182 C ATOM 15 O LIG 1 -4.619 -3.426 -1.336 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -4.812 -2.001 -1.334 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -4.634 -1.347 0.043 0.00 0.00 +0.136 C ENDBRANCH 7 11 BRANCH 5 18 ATOM 18 N LIG 1 -2.115 2.736 -0.773 0.00 0.00 -0.307 N ATOM 19 C LIG 1 -3.357 3.239 -0.115 0.00 0.00 +0.097 C ATOM 20 C LIG 1 -2.997 3.856 1.236 0.00 0.00 +0.030 C ATOM 21 C LIG 1 -4.029 4.297 -1.019 0.00 0.00 +0.182 C ATOM 22 O LIG 1 -4.457 3.768 -2.286 0.00 0.00 -0.376 OA ATOM 23 C LIG 1 -3.654 2.667 -2.737 0.00 0.00 +0.179 C ATOM 24 C LIG 1 -2.198 2.748 -2.258 0.00 0.00 +0.135 C ENDBRANCH 5 18 BRANCH 1 28 ATOM 25 C LIG 1 6.152 -1.331 0.911 0.00 0.00 +0.125 A ATOM 26 C LIG 1 5.983 -0.329 -0.058 0.00 0.00 +0.020 A ATOM 27 C LIG 1 4.699 0.208 -0.285 0.00 0.00 +0.019 A ATOM 28 C LIG 1 3.569 -0.240 0.421 0.00 0.00 +0.001 A ATOM 29 C LIG 1 3.771 -1.262 1.363 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.041 -1.797 1.612 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 31 C LIG 1 7.635 -2.841 2.010 0.00 0.00 +0.277 C ATOM 32 O LIG 1 7.439 -1.764 1.101 0.00 0.00 -0.495 OA ENDBRANCH 25 32 BRANCH 26 33 ATOM 33 C LIG 1 7.154 0.198 -0.849 0.00 0.00 +0.194 C BRANCH 33 34 ATOM 34 O LIG 1 7.947 1.054 -0.038 0.00 0.00 -0.390 OA ATOM 35 H LIG 1 8.089 0.571 0.795 0.00 0.00 +0.210 HD ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 1 28 TORSDOF 6