REMARK Name = BDB011844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.755 -0.989 -0.866 0.00 0.00 +0.180 C ATOM 2 C LIG 1 -3.115 -0.412 -0.420 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -4.051 -0.410 -1.652 0.00 0.00 +0.031 C ATOM 4 N LIG 1 -3.065 0.939 0.202 0.00 0.00 -0.261 N ATOM 5 C LIG 1 -4.303 1.481 0.614 0.00 0.00 +0.251 C ATOM 6 O LIG 1 -5.327 0.823 0.775 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -1.884 1.273 0.962 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -0.613 1.421 0.353 0.00 0.00 +0.058 A ATOM 9 C LIG 1 0.441 1.926 1.142 0.00 0.00 +0.026 A ATOM 10 C LIG 1 0.274 2.219 2.499 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -0.959 2.018 3.106 0.00 0.00 +0.054 A ATOM 12 N LIG 1 -0.375 1.094 -1.023 0.00 0.00 -0.262 N ATOM 13 C LIG 1 -2.028 1.550 2.340 0.00 0.00 +0.044 A ATOM 14 C LIG 1 -1.025 0.064 -1.702 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -1.015 -0.015 -2.934 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 16 ATOM 16 C LIG 1 -4.379 2.960 0.815 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -3.610 3.845 0.047 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -3.713 5.223 0.256 0.00 0.00 +0.019 A ATOM 19 C LIG 1 -4.593 5.726 1.223 0.00 0.00 +0.052 A ATOM 20 C LIG 1 -5.376 4.843 1.976 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -5.275 3.465 1.767 0.00 0.00 +0.014 A BRANCH 19 22 ATOM 22 C LIG 1 -4.695 7.140 1.434 0.00 0.00 +0.099 C ATOM 23 N LIG 1 -4.768 8.286 1.601 0.00 0.00 -0.191 NA ENDBRANCH 19 22 ENDBRANCH 5 16 BRANCH 1 25 ATOM 24 C LIG 1 -1.190 -2.649 0.889 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -0.894 -1.486 0.219 0.00 0.00 -0.301 N ATOM 26 H LIG 1 0.056 -1.134 0.241 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -2.248 -3.250 0.699 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -0.161 -3.105 1.962 0.00 0.00 +0.137 C ATOM 29 C LIG 1 1.297 -2.813 1.613 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 0.051 -5.462 1.258 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -0.379 -4.534 2.300 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -1.392 -4.653 2.416 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 11 33 ATOM 33 C LIG 1 -1.135 2.299 4.500 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -1.274 2.532 5.628 0.00 0.00 -0.191 NA ENDBRANCH 11 33 BRANCH 12 35 ATOM 35 C LIG 1 0.685 1.765 -1.781 0.00 0.00 +0.171 C BRANCH 35 36 ATOM 36 C LIG 1 1.881 0.859 -1.931 0.00 0.00 +0.089 A ATOM 37 C LIG 1 2.547 0.506 -3.132 0.00 0.00 +0.025 A ATOM 38 C LIG 1 3.596 -0.326 -2.738 0.00 0.00 +0.075 A ATOM 39 C LIG 1 4.564 -0.768 -3.659 0.00 0.00 +0.028 A ATOM 40 C LIG 1 4.398 -0.429 -5.005 0.00 0.00 +0.002 A ATOM 41 C LIG 1 3.319 0.343 -5.422 0.00 0.00 +0.001 A ATOM 42 N LIG 1 3.437 -0.502 -1.371 0.00 0.00 -0.231 N ATOM 43 C LIG 1 2.390 0.824 -4.495 0.00 0.00 +0.012 A ATOM 44 N LIG 1 2.469 0.306 -0.860 0.00 0.00 -0.169 NA BRANCH 42 45 ATOM 45 C LIG 1 4.161 -1.338 -0.477 0.00 0.00 +0.083 A ATOM 46 C LIG 1 4.526 -2.659 -0.786 0.00 0.00 +0.077 A ATOM 47 C LIG 1 5.262 -3.401 0.155 0.00 0.00 +0.021 A ATOM 48 C LIG 1 5.604 -2.853 1.392 0.00 0.00 +0.001 A ATOM 49 C LIG 1 5.199 -1.562 1.714 0.00 0.00 +0.002 A ATOM 50 C LIG 1 4.472 -0.810 0.791 0.00 0.00 +0.029 A BRANCH 46 51 ATOM 51 C LIG 1 4.069 -3.362 -1.951 0.00 0.00 +0.101 C ATOM 52 N LIG 1 3.707 -3.964 -2.873 0.00 0.00 -0.191 NA ENDBRANCH 46 51 ENDBRANCH 42 45 ENDBRANCH 35 36 ENDBRANCH 12 35 TORSDOF 10