REMARK Name = BDB008184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.458 -0.290 -1.326 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -3.307 -1.856 -0.659 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -2.428 -1.357 -1.601 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -2.142 -2.016 -2.314 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -3.526 -1.334 0.433 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -4.046 -3.138 -1.100 0.00 0.00 +0.156 C ATOM 7 C LIG 1 -5.000 -2.838 -2.250 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 -5.778 -5.361 1.448 0.00 0.00 +0.109 C ATOM 9 C LIG 1 -5.140 -4.980 0.139 0.00 0.00 +0.211 C ATOM 10 N LIG 1 -4.760 -3.667 0.055 0.00 0.00 -0.304 N ATOM 11 H LIG 1 -4.774 -3.073 0.880 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -4.983 -5.789 -0.770 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -0.217 -0.896 -0.628 0.00 0.00 +0.234 C ATOM 14 N LIG 1 0.958 -0.250 -0.924 0.00 0.00 -0.303 N ATOM 15 H LIG 1 0.964 0.569 -1.526 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -0.260 -1.867 0.122 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 2.208 -0.501 -0.215 0.00 0.00 +0.156 C ATOM 18 C LIG 1 2.990 -1.634 -0.862 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 C LIG 1 2.989 0.826 -0.266 0.00 0.00 +0.233 C ATOM 20 N LIG 1 4.120 0.871 0.514 0.00 0.00 -0.311 N ATOM 21 H LIG 1 4.413 0.044 1.019 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.596 1.769 -0.957 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 4.981 2.046 0.556 0.00 0.00 +0.067 C ATOM 24 C LIG 1 6.033 1.968 -0.548 0.00 0.00 +0.027 C ATOM 25 C LIG 1 5.638 2.167 1.926 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 26 ATOM 26 C LIG 1 -2.046 0.935 -0.598 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 -1.141 2.177 -0.570 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 -0.417 2.336 0.772 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 0.579 3.395 0.671 0.00 0.00 -0.356 N ATOM 30 H LIG 1 1.364 3.101 0.079 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 1.084 4.001 1.770 0.00 0.00 +0.188 C ATOM 32 N LIG 1 2.348 4.138 1.938 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 2.518 4.611 2.826 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 0.166 4.476 2.632 0.00 0.00 -0.370 N ATOM 35 H LIG 1 0.505 5.188 3.264 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 -0.675 4.780 2.156 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13