REMARK Name = BDB048263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.674 -1.319 1.055 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.350 -0.159 0.649 0.00 0.00 +0.047 A ATOM 3 C LIG 1 3.723 -0.196 0.377 0.00 0.00 +0.124 A ATOM 4 N LIG 1 4.400 -1.357 0.439 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 3.744 -2.470 0.832 0.00 0.00 +0.113 A ATOM 6 C LIG 1 2.400 -2.502 1.152 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 4.327 0.997 -0.086 0.00 0.00 -0.284 N ATOM 8 H LIG 1 3.932 1.789 0.407 0.00 0.00 +0.155 HD BRANCH 7 9 ATOM 9 C LIG 1 5.711 1.242 -0.256 0.00 0.00 +0.124 A ATOM 10 N LIG 1 6.655 0.438 0.273 0.00 0.00 -0.239 NA ATOM 11 C LIG 1 7.960 0.743 0.075 0.00 0.00 +0.127 A ATOM 12 C LIG 1 8.384 1.835 -0.660 0.00 0.00 +0.077 A ATOM 13 C LIG 1 7.418 2.688 -1.185 0.00 0.00 +0.020 A ATOM 14 C LIG 1 6.070 2.386 -0.977 0.00 0.00 +0.044 A BRANCH 12 15 ATOM 15 C LIG 1 9.828 2.067 -0.823 0.00 0.00 +0.338 C ATOM 16 O LIG 1 10.637 1.872 0.066 0.00 0.00 -0.245 OA BRANCH 15 17 ATOM 17 O LIG 1 10.160 2.489 -2.061 0.00 0.00 -0.477 OA ATOM 18 H LIG 1 9.448 2.422 -2.725 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 7 9 ENDBRANCH 3 7 BRANCH 1 19 ATOM 19 C LIG 1 0.191 -1.283 1.345 0.00 0.00 +0.059 C BRANCH 19 26 ATOM 20 N LIG 1 -4.458 -2.077 -0.403 0.00 0.00 -0.226 NA ATOM 21 C LIG 1 -3.180 -2.021 -0.223 0.00 0.00 +0.164 C ATOM 22 N LIG 1 -2.393 -3.136 -0.313 0.00 0.00 -0.253 N ATOM 23 C LIG 1 -2.972 -4.446 -0.540 0.00 0.00 +0.140 C ATOM 24 C LIG 1 -1.048 -2.989 -0.057 0.00 0.00 +0.235 C ATOM 25 O LIG 1 -0.252 -3.919 0.036 0.00 0.00 -0.274 OA ATOM 26 C LIG 1 -0.651 -1.530 0.089 0.00 0.00 +0.145 C ATOM 27 S LIG 1 -2.223 -0.619 0.167 0.00 0.00 -0.077 S BRANCH 20 31 ATOM 28 C LIG 1 -6.870 1.367 -0.105 0.00 0.00 -0.047 A ATOM 29 C LIG 1 -6.619 0.575 1.022 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.817 -0.565 0.922 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -5.241 -0.920 -0.299 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -5.502 -0.141 -1.428 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -6.302 1.001 -1.332 0.00 0.00 +0.006 A BRANCH 28 35 ATOM 34 C LIG 1 -6.887 3.835 0.340 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -7.720 2.607 0.004 0.00 0.00 +0.032 C ENDBRANCH 28 35 ENDBRANCH 20 31 ENDBRANCH 19 26 ENDBRANCH 1 19 TORSDOF 8