REMARK Name = BDB000041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.314 -0.328 1.480 0.00 0.00 +0.044 A ATOM 2 C LIG 1 1.676 -0.109 1.317 0.00 0.00 +0.071 A ATOM 3 C LIG 1 2.466 0.053 0.096 0.00 0.00 +0.256 C ATOM 4 N LIG 1 3.771 0.199 0.480 0.00 0.00 -0.222 N ATOM 5 C LIG 1 3.887 0.237 1.842 0.00 0.00 +0.255 C ATOM 6 O LIG 1 4.882 0.411 2.519 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 1.991 0.084 -1.025 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 2.549 0.017 2.385 0.00 0.00 +0.051 A ATOM 9 C LIG 1 2.125 -0.060 3.694 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.762 -0.270 3.903 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -0.126 -0.404 2.811 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 4.871 0.535 -0.412 0.00 0.00 +0.171 C ATOM 13 C LIG 1 4.748 2.003 -0.835 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.131 2.851 -0.194 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 5.441 2.355 -1.972 0.00 0.00 -0.255 N ATOM 16 H LIG 1 5.371 3.326 -2.248 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.092 1.527 -2.853 0.00 0.00 +0.219 C ATOM 18 O LIG 1 6.617 1.971 -3.869 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.179 0.067 -2.471 0.00 0.00 +0.098 C ATOM 20 C LIG 1 4.977 -0.361 -1.643 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -0.520 -0.500 0.369 0.00 0.00 -0.311 N ATOM 22 H LIG 1 -0.143 -0.110 -0.501 0.00 0.00 +0.152 HD BRANCH 21 29 ATOM 23 C LIG 1 -3.986 -4.262 2.614 0.00 0.00 +0.173 C ATOM 24 N LIG 1 -4.364 -3.499 1.448 0.00 0.00 -0.267 N ATOM 25 C LIG 1 -3.600 -2.554 0.806 0.00 0.00 +0.071 A ATOM 26 C LIG 1 -4.383 -2.118 -0.258 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -3.878 -1.146 -1.133 0.00 0.00 +0.059 A ATOM 28 C LIG 1 -2.594 -0.633 -0.885 0.00 0.00 +0.150 A ATOM 29 C LIG 1 -1.791 -1.083 0.183 0.00 0.00 +0.076 A ATOM 30 C LIG 1 -5.580 -2.860 -0.148 0.00 0.00 +0.143 A ATOM 31 C LIG 1 -2.307 -2.058 1.049 0.00 0.00 +0.055 A ATOM 32 N LIG 1 -5.573 -3.699 0.889 0.00 0.00 -0.179 NA BRANCH 28 33 ATOM 33 O LIG 1 -2.051 0.301 -1.750 0.00 0.00 -0.454 OA BRANCH 33 34 ATOM 34 C LIG 1 -2.725 1.495 -1.879 0.00 0.00 +0.129 A ATOM 35 C LIG 1 -3.279 2.184 -0.797 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -3.919 3.406 -1.007 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -3.992 3.945 -2.292 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.419 3.268 -3.368 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -2.779 2.046 -3.160 0.00 0.00 +0.046 A ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 21 29 ENDBRANCH 1 21 TORSDOF 5