REMARK Name = BDB027560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.010 0.705 -2.849 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -1.711 0.528 -2.413 0.00 0.00 -0.296 N ATOM 3 C LIG 1 -1.257 -0.246 -1.258 0.00 0.00 +0.130 C ATOM 4 C LIG 1 0.267 -0.036 -1.219 0.00 0.00 +0.092 C ATOM 5 C LIG 1 0.599 0.123 -2.706 0.00 0.00 +0.043 C ATOM 6 C LIG 1 -0.593 0.888 -3.267 0.00 0.00 +0.110 C ATOM 7 O LIG 1 -3.295 1.184 -3.943 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -6.270 -0.557 -0.374 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -5.370 0.406 0.091 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -4.300 0.824 -0.708 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -4.116 0.264 -1.973 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -5.022 -0.679 -2.460 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -6.091 -1.091 -1.658 0.00 0.00 +0.024 A BRANCH 8 15 ATOM 14 C LIG 1 -7.742 -0.672 1.656 0.00 0.00 +0.217 C ATOM 15 N LIG 1 -7.373 -1.028 0.367 0.00 0.00 -0.286 N ATOM 16 H LIG 1 -7.960 -1.710 -0.097 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -7.155 0.113 2.391 0.00 0.00 -0.275 OA BRANCH 14 19 ATOM 18 C LIG 1 -9.444 -1.024 3.494 0.00 0.00 +0.013 C ATOM 19 C LIG 1 -9.008 -1.396 2.087 0.00 0.00 +0.093 C ENDBRANCH 14 19 ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 4 20 ATOM 20 N LIG 1 0.579 1.171 -0.458 0.00 0.00 -0.309 N ATOM 21 H LIG 1 0.140 2.029 -0.777 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 1.917 1.447 -0.246 0.00 0.00 +0.216 A ATOM 23 N LIG 1 2.806 0.450 -0.144 0.00 0.00 -0.214 NA ATOM 24 C LIG 1 4.091 0.766 0.061 0.00 0.00 +0.077 A ATOM 25 C LIG 1 4.525 2.091 0.166 0.00 0.00 +0.019 A ATOM 26 C LIG 1 5.882 2.405 0.379 0.00 0.00 +0.012 A ATOM 27 C LIG 1 6.816 1.381 0.496 0.00 0.00 +0.014 A ATOM 28 C LIG 1 6.385 0.056 0.411 0.00 0.00 +0.039 A ATOM 29 C LIG 1 3.527 3.041 0.038 0.00 0.00 +0.124 A ATOM 30 C LIG 1 5.037 -0.242 0.176 0.00 0.00 +0.041 A ATOM 31 N LIG 1 2.231 2.744 -0.169 0.00 0.00 -0.222 NA BRANCH 28 32 ATOM 32 C LIG 1 7.355 -1.056 0.494 0.00 0.00 +0.246 C ATOM 33 N LIG 1 8.184 -1.148 1.610 0.00 0.00 -0.304 N ATOM 34 C LIG 1 9.212 -2.175 1.609 0.00 0.00 +0.132 C ATOM 35 C LIG 1 7.910 -0.523 2.897 0.00 0.00 +0.132 C ATOM 36 O LIG 1 7.392 -1.839 -0.452 0.00 0.00 -0.270 OA ENDBRANCH 28 32 ENDBRANCH 20 22 ENDBRANCH 4 20 TORSDOF 6