REMARK Name = BDB004969 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.354 -1.620 -2.647 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.091 -2.273 -1.649 0.00 0.00 +0.028 A ATOM 3 C LIG 1 2.226 -3.037 -1.962 0.00 0.00 -0.029 A ATOM 4 C LIG 1 2.630 -3.132 -3.299 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.901 -2.489 -4.299 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.767 -1.738 -3.974 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.631 -0.140 -3.025 0.00 0.00 +0.250 C ATOM 8 N LIG 1 -0.780 -0.889 -2.232 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -0.934 -0.873 -1.232 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.512 0.087 -4.223 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 -4.931 1.579 -0.971 0.00 0.00 +0.119 A ATOM 12 N LIG 1 -4.489 0.360 -0.598 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -3.442 -0.172 -1.279 0.00 0.00 +0.126 A ATOM 14 C LIG 1 -2.783 0.470 -2.316 0.00 0.00 +0.055 A ATOM 15 C LIG 1 -3.260 1.718 -2.706 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -4.338 2.280 -2.020 0.00 0.00 +0.044 A BRANCH 11 17 ATOM 17 N LIG 1 -5.980 2.203 -0.276 0.00 0.00 -0.327 N ATOM 18 H LIG 1 -6.676 2.515 -0.948 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -6.575 1.390 0.796 0.00 0.00 +0.131 C BRANCH 19 20 ATOM 20 C LIG 1 -7.673 2.177 1.533 0.00 0.00 +0.178 C BRANCH 20 22 ATOM 21 C LIG 1 -6.404 4.118 2.107 0.00 0.00 +0.194 C ATOM 22 O LIG 1 -7.188 3.029 2.577 0.00 0.00 -0.381 OA ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 3.014 -3.724 -0.868 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 4.076 -2.859 -0.366 0.00 0.00 -0.324 N ATOM 25 H LIG 1 4.455 -2.275 -1.110 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.804 -2.071 0.767 0.00 0.00 +0.130 A ATOM 27 C LIG 1 4.824 -1.246 1.293 0.00 0.00 +0.041 A ATOM 28 C LIG 1 4.486 -0.498 2.432 0.00 0.00 +0.088 A ATOM 29 C LIG 1 5.484 0.319 2.978 0.00 0.00 +0.063 A ATOM 30 C LIG 1 6.779 0.417 2.446 0.00 0.00 +0.015 A ATOM 31 C LIG 1 7.107 -0.325 1.324 0.00 0.00 +0.002 A ATOM 32 N LIG 1 3.256 -0.560 2.977 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 2.383 -1.407 2.426 0.00 0.00 +0.223 A ATOM 34 C LIG 1 6.139 -1.152 0.754 0.00 0.00 +0.013 A ATOM 35 N LIG 1 2.595 -2.166 1.349 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 5.204 1.108 4.187 0.00 0.00 +0.244 C ATOM 37 O LIG 1 5.519 0.701 5.301 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 4.643 2.344 3.968 0.00 0.00 -0.325 N ATOM 39 H LIG 1 4.331 2.843 4.792 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 4.207 2.576 3.084 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10