REMARK Name = BDB064247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.931 1.767 0.568 0.00 0.00 +0.112 A ATOM 2 C LIG 1 -0.876 0.967 1.020 0.00 0.00 +0.042 A ATOM 3 C LIG 1 0.303 1.040 0.308 0.00 0.00 +0.043 A ATOM 4 C LIG 1 1.561 0.320 0.533 0.00 0.00 +0.248 C ATOM 5 N LIG 1 2.470 0.798 -0.398 0.00 0.00 -0.282 N ATOM 6 C LIG 1 1.842 1.690 -1.364 0.00 0.00 +0.144 C ATOM 7 O LIG 1 1.719 -0.539 1.379 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.469 1.862 -0.806 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -0.571 2.662 -1.249 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -1.782 2.618 -0.548 0.00 0.00 +0.029 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 3.773 0.194 -0.659 0.00 0.00 +0.163 C ATOM 12 C LIG 1 3.629 -1.128 -1.429 0.00 0.00 +0.240 C ATOM 13 O LIG 1 2.718 -1.356 -2.224 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 4.657 -2.030 -1.276 0.00 0.00 -0.255 N ATOM 15 H LIG 1 4.577 -2.885 -1.808 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 5.818 -1.873 -0.560 0.00 0.00 +0.219 C ATOM 17 O LIG 1 6.710 -2.715 -0.610 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 5.973 -0.580 0.206 0.00 0.00 +0.098 C ATOM 19 C LIG 1 4.620 -0.005 0.597 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 S LIG 1 -3.467 1.734 1.464 0.00 0.00 +0.088 S ATOM 21 O LIG 1 -3.099 1.812 2.867 0.00 0.00 -0.148 OA ATOM 22 O LIG 1 -4.359 2.728 0.901 0.00 0.00 -0.148 OA BRANCH 20 27 ATOM 23 C LIG 1 -5.389 -2.116 0.645 0.00 0.00 +0.123 A ATOM 24 N LIG 1 -4.808 -1.530 -0.348 0.00 0.00 -0.177 NA ATOM 25 C LIG 1 -4.254 -0.289 -0.164 0.00 0.00 +0.370 A ATOM 26 O LIG 1 -3.861 0.356 -1.125 0.00 0.00 -0.243 OA ATOM 27 N LIG 1 -4.099 0.201 1.153 0.00 0.00 -0.167 N ATOM 28 C LIG 1 -4.855 -0.368 2.213 0.00 0.00 +0.120 A ATOM 29 C LIG 1 -5.489 -1.513 1.981 0.00 0.00 +0.063 A BRANCH 23 30 ATOM 30 N LIG 1 -5.934 -3.348 0.414 0.00 0.00 -0.343 N ATOM 31 H LIG 1 -5.627 -3.752 -0.466 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -5.926 -4.013 1.178 0.00 0.00 +0.144 HD ENDBRANCH 23 30 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 4