REMARK Name = BDB039334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.579 -0.139 0.325 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -3.035 -1.216 1.005 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -2.139 -2.259 1.358 0.00 0.00 +0.066 A ATOM 4 N LIG 1 -0.807 -2.131 0.993 0.00 0.00 -0.299 N ATOM 5 C LIG 1 -0.180 -3.270 1.443 0.00 0.00 +0.204 A ATOM 6 N LIG 1 -1.005 -4.084 2.068 0.00 0.00 -0.243 NA ATOM 7 C LIG 1 -0.302 -1.018 0.304 0.00 0.00 +0.055 A ATOM 8 C LIG 1 -2.228 -3.464 2.015 0.00 0.00 +0.138 A ATOM 9 C LIG 1 -1.159 -0.028 -0.026 0.00 0.00 +0.031 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.118 -0.888 -0.055 0.00 0.00 -0.001 A ATOM 11 C LIG 1 2.050 -0.490 0.919 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.379 -0.374 0.548 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.563 0.041 1.355 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.663 -0.113 0.413 0.00 0.00 -0.282 N ATOM 15 C LIG 1 5.217 -0.425 -0.859 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.853 -0.481 -1.891 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.769 -0.642 -0.761 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.878 -1.028 -1.744 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.536 -1.152 -1.379 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 7.010 0.336 0.750 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.276 1.711 0.138 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.593 2.697 0.418 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.287 1.802 -0.783 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.438 2.717 -1.184 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.010 0.789 -1.357 0.00 0.00 +0.219 C ATOM 26 O LIG 1 9.839 1.034 -2.231 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 8.725 -0.618 -0.896 0.00 0.00 +0.098 C ATOM 28 C LIG 1 8.127 -0.674 0.498 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 7 10 BRANCH 1 29 ATOM 29 C LIG 1 -3.499 1.005 -0.049 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 N LIG 1 -4.270 0.734 -1.271 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -3.460 0.866 -2.480 0.00 0.00 +0.105 C BRANCH 30 33 ATOM 32 C LIG 1 -5.345 3.028 -1.306 0.00 0.00 +0.029 C ATOM 33 C LIG 1 -5.535 1.502 -1.356 0.00 0.00 +0.084 C BRANCH 33 34 ATOM 34 C LIG 1 -6.569 0.948 -0.368 0.00 0.00 -0.031 A ATOM 35 C LIG 1 -7.117 1.700 0.683 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -8.054 1.136 1.554 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.456 -0.187 1.392 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.923 -0.951 0.359 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.989 -0.388 -0.512 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6