REMARK Name = BDB005082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.033 -1.583 -2.585 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.025 -0.798 -1.998 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.070 -1.375 -1.336 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -1.099 -2.768 -1.215 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.103 -3.564 -1.788 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.958 -2.975 -2.473 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.007 -0.526 -0.706 0.00 0.00 -0.299 N ATOM 8 H LIG 1 -1.954 0.413 -1.090 0.00 0.00 +0.154 HD BRANCH 7 9 ATOM 9 C LIG 1 -3.359 -0.798 -0.356 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -4.016 0.080 0.533 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -5.366 -0.206 0.798 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -6.047 0.656 1.670 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -5.429 1.751 2.290 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -4.096 2.002 2.035 0.00 0.00 +0.118 A ATOM 15 N LIG 1 -5.967 -1.280 0.259 0.00 0.00 -0.235 NA ATOM 16 C LIG 1 -5.250 -2.052 -0.561 0.00 0.00 +0.223 A ATOM 17 C LIG 1 -3.386 1.186 1.166 0.00 0.00 +0.059 A ATOM 18 N LIG 1 -3.974 -1.865 -0.891 0.00 0.00 -0.220 NA BRANCH 12 19 ATOM 19 C LIG 1 -7.480 0.441 1.951 0.00 0.00 +0.244 C ATOM 20 O LIG 1 -8.332 0.472 1.075 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -7.803 0.248 3.267 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -7.106 0.051 3.971 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -8.764 -0.001 3.463 0.00 0.00 +0.145 HD ENDBRANCH 12 19 BRANCH 14 24 ATOM 24 O LIG 1 -3.516 3.063 2.659 0.00 0.00 -0.507 OA ATOM 25 H LIG 1 -2.586 3.135 2.385 0.00 0.00 +0.292 HD ENDBRANCH 14 24 ENDBRANCH 7 9 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 2.196 -0.922 -3.278 0.00 0.00 +0.140 C BRANCH 26 28 ATOM 27 C LIG 1 3.236 0.749 -1.796 0.00 0.00 +0.244 C ATOM 28 N LIG 1 3.207 -0.525 -2.322 0.00 0.00 -0.307 N ATOM 29 H LIG 1 3.659 -1.270 -1.811 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 2.481 1.648 -2.148 0.00 0.00 -0.270 OA BRANCH 27 34 ATOM 31 C LIG 1 6.058 1.516 1.357 0.00 0.00 +0.120 A ATOM 32 C LIG 1 4.871 2.247 1.256 0.00 0.00 +0.046 A ATOM 33 C LIG 1 3.962 1.992 0.226 0.00 0.00 +0.016 A ATOM 34 C LIG 1 4.230 0.990 -0.713 0.00 0.00 +0.037 A ATOM 35 C LIG 1 5.426 0.267 -0.624 0.00 0.00 +0.016 A ATOM 36 C LIG 1 6.334 0.528 0.411 0.00 0.00 +0.046 A BRANCH 31 38 ATOM 37 C LIG 1 8.084 1.166 2.552 0.00 0.00 +0.277 C ATOM 38 O LIG 1 6.855 1.867 2.411 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 27 34 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8