REMARK Name = BDB056300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.125 -0.577 -0.589 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.312 -1.366 -1.415 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -0.919 -1.832 -0.949 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -1.347 -1.483 0.336 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -0.539 -0.701 1.168 0.00 0.00 +0.014 A ATOM 6 C LIG 1 0.693 -0.237 0.702 0.00 0.00 +0.014 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.631 -1.992 0.863 0.00 0.00 +0.247 C ATOM 8 N LIG 1 -3.812 -1.681 0.181 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -3.939 -0.483 -0.661 0.00 0.00 +0.113 C ATOM 10 C LIG 1 -5.217 -0.493 -1.520 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -6.473 -0.631 -0.640 0.00 0.00 +0.066 C ATOM 12 C LIG 1 -6.260 -2.077 -0.155 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -5.968 -2.816 -1.475 0.00 0.00 +0.007 C ATOM 14 C LIG 1 -5.280 -1.775 -2.372 0.00 0.00 +0.007 C ATOM 15 C LIG 1 -5.050 -2.170 0.790 0.00 0.00 +0.113 C ATOM 16 O LIG 1 -2.586 -2.681 1.880 0.00 0.00 -0.270 OA BRANCH 11 17 ATOM 17 N LIG 1 -6.624 0.381 0.406 0.00 0.00 -0.299 NA ATOM 18 C LIG 1 -7.801 0.164 1.253 0.00 0.00 +0.085 C ATOM 19 C LIG 1 -7.951 1.488 1.987 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -7.289 2.521 1.084 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -6.793 1.737 -0.121 0.00 0.00 +0.085 C ENDBRANCH 11 17 ENDBRANCH 4 7 BRANCH 1 24 ATOM 22 N LIG 1 3.463 -0.092 -0.207 0.00 0.00 -0.281 N ATOM 23 H LIG 1 3.276 -0.505 0.697 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 2.429 -0.099 -1.125 0.00 0.00 +0.248 C ATOM 25 O LIG 1 2.485 0.210 -2.309 0.00 0.00 -0.270 OA BRANCH 22 32 ATOM 26 N LIG 1 9.335 0.834 0.670 0.00 0.00 -0.294 NA ATOM 27 C LIG 1 8.129 0.554 1.480 0.00 0.00 +0.120 C ATOM 28 C LIG 1 6.998 0.586 0.501 0.00 0.00 -0.027 A ATOM 29 C LIG 1 7.438 1.158 -0.689 0.00 0.00 -0.029 A ATOM 30 C LIG 1 6.575 1.338 -1.752 0.00 0.00 +0.007 A ATOM 31 C LIG 1 5.246 0.922 -1.609 0.00 0.00 +0.023 A ATOM 32 C LIG 1 4.791 0.339 -0.413 0.00 0.00 +0.034 A ATOM 33 C LIG 1 5.684 0.177 0.658 0.00 0.00 +0.028 A ATOM 34 C LIG 1 8.881 1.528 -0.558 0.00 0.00 +0.120 C BRANCH 26 36 ATOM 35 C LIG 1 11.662 1.679 0.640 0.00 0.00 +0.020 C ATOM 36 C LIG 1 10.357 1.558 1.419 0.00 0.00 +0.082 C ENDBRANCH 26 36 ENDBRANCH 22 32 ENDBRANCH 1 24 TORSDOF 5