REMARK Name = BDB000034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.164 2.179 -1.010 0.00 0.00 +0.044 A ATOM 2 C LIG 1 -1.419 1.631 -1.247 0.00 0.00 +0.071 A ATOM 3 C LIG 1 -1.935 0.296 -0.943 0.00 0.00 +0.256 C ATOM 4 N LIG 1 -3.244 0.273 -1.339 0.00 0.00 -0.222 N ATOM 5 C LIG 1 -3.599 1.445 -1.950 0.00 0.00 +0.255 C ATOM 6 O LIG 1 -4.658 1.745 -2.467 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 -1.265 -0.597 -0.460 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -2.439 2.329 -1.872 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -2.279 3.626 -2.310 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.032 4.213 -2.097 0.00 0.00 +0.003 A ATOM 11 C LIG 1 0.007 3.498 -1.456 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -4.091 -0.910 -1.354 0.00 0.00 +0.171 C ATOM 13 C LIG 1 -3.645 -1.837 -2.490 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -3.013 -1.459 -3.474 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -4.055 -3.148 -2.384 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -3.772 -3.760 -3.138 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -4.664 -3.756 -1.315 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -4.911 -4.958 -1.327 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -5.066 -2.861 -0.165 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -4.123 -1.674 -0.033 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 0.818 1.446 -0.334 0.00 0.00 -0.310 N ATOM 22 H LIG 1 0.662 0.432 -0.344 0.00 0.00 +0.152 HD BRANCH 21 27 ATOM 23 C LIG 1 5.508 2.908 2.532 0.00 0.00 +0.066 C ATOM 24 C LIG 1 4.270 2.498 1.793 0.00 0.00 +0.042 A ATOM 25 N LIG 1 3.302 3.428 1.635 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 2.185 3.062 0.952 0.00 0.00 +0.138 A ATOM 27 C LIG 1 1.954 1.804 0.411 0.00 0.00 +0.093 A ATOM 28 C LIG 1 2.975 0.867 0.622 0.00 0.00 +0.153 A ATOM 29 C LIG 1 4.148 1.208 1.299 0.00 0.00 +0.071 A BRANCH 28 30 ATOM 30 O LIG 1 2.821 -0.393 0.075 0.00 0.00 -0.454 OA BRANCH 30 31 ATOM 31 C LIG 1 2.930 -1.463 0.935 0.00 0.00 +0.129 A ATOM 32 C LIG 1 3.631 -2.575 0.465 0.00 0.00 +0.046 A ATOM 33 C LIG 1 3.759 -3.708 1.270 0.00 0.00 +0.004 A ATOM 34 C LIG 1 3.175 -3.733 2.536 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.455 -2.630 2.996 0.00 0.00 +0.004 A ATOM 36 C LIG 1 2.325 -1.495 2.194 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 21 27 ENDBRANCH 1 21 TORSDOF 5