REMARK Name = BDB053024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.145 1.860 0.662 0.00 0.00 -0.281 N ATOM 2 H LIG 1 0.053 2.710 1.175 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.496 1.774 0.362 0.00 0.00 +0.222 A ATOM 4 N LIG 1 -2.009 0.741 -0.314 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -3.341 0.706 -0.589 0.00 0.00 +0.163 A ATOM 6 N LIG 1 -3.828 -0.406 -1.323 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -4.868 -1.192 -0.788 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -6.109 -0.624 -0.476 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -6.459 0.780 -0.793 0.00 0.00 +0.261 A ATOM 10 N LIG 1 -5.580 1.842 -0.549 0.00 0.00 -0.307 N ATOM 11 C LIG 1 -6.157 3.184 -0.635 0.00 0.00 +0.152 C ATOM 12 O LIG 1 -7.617 0.973 -1.178 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -7.143 -1.413 0.070 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -6.952 -2.767 0.328 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.728 -3.346 0.030 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.704 -2.569 -0.522 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -2.770 -1.106 -2.058 0.00 0.00 +0.151 C ATOM 18 C LIG 1 -4.193 1.739 -0.204 0.00 0.00 +0.106 A ATOM 19 C LIG 1 -3.551 2.763 0.477 0.00 0.00 +0.144 A ATOM 20 N LIG 1 -2.236 2.806 0.771 0.00 0.00 -0.220 NA ENDBRANCH 1 3 BRANCH 1 22 ATOM 21 C LIG 1 2.226 1.464 0.864 0.00 0.00 +0.143 A ATOM 22 C LIG 1 0.944 0.990 0.545 0.00 0.00 +0.076 A ATOM 23 C LIG 1 0.858 -0.317 0.075 0.00 0.00 +0.029 A ATOM 24 C LIG 1 2.002 -1.128 -0.034 0.00 0.00 +0.025 A ATOM 25 C LIG 1 3.280 -0.675 0.327 0.00 0.00 +0.033 A ATOM 26 C LIG 1 3.362 0.648 0.783 0.00 0.00 +0.070 A BRANCH 25 27 ATOM 27 N LIG 1 4.410 -1.479 0.227 0.00 0.00 -0.330 N ATOM 28 C LIG 1 4.400 -2.700 -0.587 0.00 0.00 +0.107 C ATOM 29 C LIG 1 5.824 -3.058 -1.005 0.00 0.00 +0.050 C ATOM 30 C LIG 1 6.732 -3.271 0.204 0.00 0.00 +0.118 C ATOM 31 C LIG 1 6.199 -2.619 1.477 0.00 0.00 +0.050 C ATOM 32 C LIG 1 5.513 -1.292 1.177 0.00 0.00 +0.107 C BRANCH 30 33 ATOM 33 O LIG 1 6.890 -4.673 0.426 0.00 0.00 -0.392 OA ATOM 34 H LIG 1 7.494 -4.787 1.180 0.00 0.00 +0.210 HD ENDBRANCH 30 33 ENDBRANCH 25 27 BRANCH 21 35 ATOM 35 O LIG 1 2.348 2.760 1.321 0.00 0.00 -0.490 OA BRANCH 35 37 ATOM 36 C LIG 1 2.807 5.031 0.754 0.00 0.00 +0.048 C ATOM 37 C LIG 1 2.952 3.585 0.317 0.00 0.00 +0.226 C ENDBRANCH 35 37 ENDBRANCH 21 35 ENDBRANCH 1 22 TORSDOF 6