REMARK Name = BDB032835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.063 3.519 -0.469 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -2.682 2.377 0.060 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -3.686 1.787 -0.685 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -4.491 0.599 -0.378 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -5.407 0.457 -1.406 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.164 1.404 -2.486 0.00 0.00 +0.144 C ATOM 7 O LIG 1 -4.330 -0.114 0.591 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -4.087 2.270 -1.928 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -3.477 3.386 -2.473 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -2.461 4.008 -1.736 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.296 -0.684 -1.595 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.487 -1.934 -1.944 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -4.792 -2.002 -2.959 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -5.527 -2.976 -1.054 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -4.978 -3.787 -1.301 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.129 -3.028 0.175 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -6.053 -4.045 0.862 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -6.856 -1.795 0.648 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.329 -0.912 -0.493 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 -0.947 4.194 0.288 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 0.312 3.740 -0.223 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 2.083 2.434 -0.147 0.00 0.00 -0.250 N ATOM 23 H LIG 1 2.239 2.961 -0.995 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 0.923 2.763 0.495 0.00 0.00 +0.405 C ATOM 25 O LIG 1 0.482 2.290 1.531 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 5.056 -0.393 0.758 0.00 0.00 +0.122 A ATOM 27 N LIG 1 5.148 0.400 -0.333 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 4.158 1.292 -0.577 0.00 0.00 +0.136 A ATOM 29 C LIG 1 3.036 1.471 0.222 0.00 0.00 +0.055 A ATOM 30 C LIG 1 2.950 0.667 1.347 0.00 0.00 +0.028 A ATOM 31 C LIG 1 3.964 -0.262 1.614 0.00 0.00 +0.045 A BRANCH 26 34 ATOM 32 C LIG 1 6.416 -2.261 3.230 0.00 0.00 +0.028 C ATOM 33 C LIG 1 5.919 -2.502 1.805 0.00 0.00 +0.072 C ATOM 34 N LIG 1 6.082 -1.284 1.005 0.00 0.00 -0.312 N ATOM 35 C LIG 1 7.077 -1.471 -0.053 0.00 0.00 +0.107 C ATOM 36 C LIG 1 7.862 -2.697 0.401 0.00 0.00 +0.021 C ATOM 37 C LIG 1 6.790 -3.539 1.076 0.00 0.00 +0.024 C ENDBRANCH 26 34 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6