REMARK Name = BDB011937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.381 -0.230 -0.438 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.274 -1.177 -0.842 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.422 -2.385 -0.603 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.130 -0.678 -1.456 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.134 0.705 -1.854 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.439 1.898 -1.312 0.00 0.00 +0.059 A ATOM 7 C LIG 1 0.047 3.149 -1.792 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.987 3.270 -2.814 0.00 0.00 +0.054 A ATOM 9 C LIG 1 1.487 2.123 -3.390 0.00 0.00 +0.021 A ATOM 10 N LIG 1 -1.406 1.981 -0.234 0.00 0.00 -0.268 N ATOM 11 C LIG 1 -2.272 3.090 -0.119 0.00 0.00 +0.217 C ATOM 12 O LIG 1 -2.522 3.873 -1.037 0.00 0.00 -0.276 OA ATOM 13 C LIG 1 -2.890 3.333 1.240 0.00 0.00 +0.109 C ATOM 14 C LIG 1 1.069 0.878 -2.913 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -1.726 0.771 0.500 0.00 0.00 +0.145 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 -4.674 -0.516 0.465 0.00 0.00 +0.230 C ATOM 17 N LIG 1 -3.425 -1.028 0.217 0.00 0.00 -0.301 N ATOM 18 H LIG 1 -3.275 -2.033 0.213 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 -4.912 0.684 0.325 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 -5.718 -1.515 1.033 0.00 0.00 +0.137 C ATOM 21 C LIG 1 -5.825 -2.780 0.186 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 -7.819 -1.222 2.226 0.00 0.00 +0.101 C ATOM 23 N LIG 1 -7.039 -0.850 1.056 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 -6.881 0.164 1.063 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 8 25 ATOM 25 C LIG 1 1.439 4.559 -3.249 0.00 0.00 +0.099 C ATOM 26 N LIG 1 1.833 5.592 -3.601 0.00 0.00 -0.191 NA ENDBRANCH 8 25 BRANCH 4 27 ATOM 27 C LIG 1 0.942 -1.690 -1.646 0.00 0.00 +0.171 C BRANCH 27 28 ATOM 28 C LIG 1 2.091 -1.413 -0.718 0.00 0.00 +0.089 A ATOM 29 C LIG 1 2.179 -1.708 0.665 0.00 0.00 +0.025 A ATOM 30 C LIG 1 3.409 -1.188 1.070 0.00 0.00 +0.075 A ATOM 31 C LIG 1 3.777 -1.161 2.428 0.00 0.00 +0.028 A ATOM 32 C LIG 1 2.921 -1.761 3.357 0.00 0.00 +0.002 A ATOM 33 C LIG 1 1.724 -2.345 2.957 0.00 0.00 +0.001 A ATOM 34 N LIG 1 4.017 -0.722 -0.089 0.00 0.00 -0.231 N ATOM 35 C LIG 1 1.336 -2.318 1.615 0.00 0.00 +0.012 A ATOM 36 N LIG 1 3.179 -0.769 -1.158 0.00 0.00 -0.169 NA BRANCH 34 37 ATOM 37 C LIG 1 5.313 -0.164 -0.267 0.00 0.00 +0.083 A ATOM 38 C LIG 1 6.466 -0.683 0.343 0.00 0.00 +0.077 A ATOM 39 C LIG 1 7.697 -0.035 0.141 0.00 0.00 +0.021 A ATOM 40 C LIG 1 7.788 1.093 -0.678 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.654 1.573 -1.324 0.00 0.00 +0.002 A ATOM 42 C LIG 1 5.424 0.944 -1.131 0.00 0.00 +0.029 A BRANCH 38 43 ATOM 43 C LIG 1 6.497 -1.928 1.058 0.00 0.00 +0.101 C ATOM 44 N LIG 1 6.560 -2.932 1.637 0.00 0.00 -0.191 NA ENDBRANCH 38 43 ENDBRANCH 34 37 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 8