REMARK Name = BDB032775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.590 -0.212 -0.148 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.548 0.194 -0.970 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.155 -0.316 -2.001 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.988 1.412 -0.375 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.762 1.749 0.733 0.00 0.00 -0.018 A ATOM 6 C LIG 1 3.451 2.866 1.485 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.346 3.635 1.099 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.569 3.296 -0.034 0.00 0.00 -0.010 A ATOM 9 C LIG 1 1.895 2.155 -0.781 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.873 0.768 0.892 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 7.665 -3.848 -2.918 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 6.977 -3.087 -2.244 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.128 -1.727 -2.338 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.809 -1.402 -3.011 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.550 -0.755 -1.554 0.00 0.00 +0.240 C ATOM 16 O LIG 1 6.913 0.416 -1.649 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.553 -1.251 -0.494 0.00 0.00 +0.163 C ATOM 18 C LIG 1 4.909 -2.565 -0.935 0.00 0.00 +0.041 C ATOM 19 C LIG 1 5.997 -3.591 -1.211 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 0.373 4.133 -0.409 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -0.808 3.539 0.143 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.246 4.058 1.313 0.00 0.00 +0.406 C ATOM 23 N LIG 1 -2.357 3.462 1.827 0.00 0.00 -0.234 N ATOM 24 H LIG 1 -2.692 3.875 2.686 0.00 0.00 +0.160 HD ATOM 25 O LIG 1 -0.716 4.998 1.896 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.126 2.384 1.399 0.00 0.00 +0.146 A ATOM 27 N LIG 1 -4.178 2.127 2.201 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 -4.968 1.081 1.830 0.00 0.00 +0.156 A ATOM 29 C LIG 1 -4.748 0.270 0.712 0.00 0.00 +0.140 A ATOM 30 N LIG 1 -3.693 0.555 -0.082 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -2.897 1.601 0.277 0.00 0.00 +0.156 A BRANCH 29 32 ATOM 32 N LIG 1 -5.592 -0.783 0.372 0.00 0.00 -0.314 N ATOM 33 C LIG 1 -5.324 -1.432 -0.914 0.00 0.00 +0.106 C ATOM 34 C LIG 1 -6.487 -2.354 -1.271 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -6.714 -3.436 -0.215 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -6.100 -3.081 1.136 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -6.191 -1.587 1.442 0.00 0.00 +0.106 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6