REMARK Name = BDB024363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.110 -1.527 0.662 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.029 -2.521 -0.033 0.00 0.00 -0.020 A ATOM 3 C LIG 1 -1.864 -2.893 -1.379 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -2.748 -3.792 -1.990 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -3.814 -4.324 -1.259 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -3.995 -3.962 0.075 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -3.112 -3.067 0.681 0.00 0.00 +0.006 A BRANCH 4 8 ATOM 8 C LIG 1 -2.571 -4.155 -3.365 0.00 0.00 +0.099 C ATOM 9 N LIG 1 -2.450 -4.439 -4.484 0.00 0.00 -0.191 NA ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 12 ATOM 10 N LIG 1 1.002 -0.333 0.550 0.00 0.00 -0.269 N ATOM 11 H LIG 1 0.380 0.364 0.947 0.00 0.00 +0.156 HD ATOM 12 C LIG 1 0.386 -1.531 0.225 0.00 0.00 +0.240 C ATOM 13 O LIG 1 0.919 -2.513 -0.283 0.00 0.00 -0.273 OA BRANCH 10 17 ATOM 14 C LIG 1 4.972 0.771 -0.075 0.00 0.00 +0.003 A ATOM 15 C LIG 1 4.468 -0.477 -0.423 0.00 0.00 +0.121 A ATOM 16 N LIG 1 3.183 -0.868 -0.235 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 2.335 0.006 0.328 0.00 0.00 +0.125 A ATOM 18 C LIG 1 2.743 1.280 0.710 0.00 0.00 +0.044 A ATOM 19 C LIG 1 4.071 1.664 0.506 0.00 0.00 +0.013 A BRANCH 14 24 ATOM 20 C LIG 1 9.451 2.901 0.225 0.00 0.00 +0.172 C ATOM 21 N LIG 1 8.337 2.070 -0.163 0.00 0.00 -0.274 N ATOM 22 N LIG 1 8.501 1.160 -1.138 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.302 0.578 -1.227 0.00 0.00 +0.143 A ATOM 24 C LIG 1 6.361 1.116 -0.316 0.00 0.00 +0.021 A ATOM 25 C LIG 1 7.076 2.084 0.360 0.00 0.00 +0.116 A ENDBRANCH 14 24 ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 1 26 ATOM 26 N LIG 1 -1.660 -0.139 0.703 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -2.551 -0.166 1.202 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -1.866 0.492 -0.613 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.307 0.444 -1.162 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.353 1.014 -0.231 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.355 2.376 0.098 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.322 2.895 0.964 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.301 2.058 1.507 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.309 0.699 1.177 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.343 0.181 0.312 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -7.291 2.589 2.396 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.090 3.018 3.120 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10