REMARK Name = BDB032755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.057 -1.734 1.885 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -3.139 -0.845 1.816 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -4.032 -1.000 0.773 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -5.240 -0.225 0.468 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -5.751 -0.727 -0.716 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.027 -1.908 -1.167 0.00 0.00 +0.144 C ATOM 7 O LIG 1 -5.688 0.658 1.170 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.898 -1.991 -0.197 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -2.833 -2.871 -0.149 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -1.909 -2.733 0.894 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -7.025 -0.349 -1.317 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -8.184 -0.786 -0.421 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -8.393 -1.970 -0.149 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.964 0.203 0.120 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.713 -0.107 0.723 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.782 1.560 0.063 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.552 2.316 0.652 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.601 2.073 -0.720 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.131 1.100 -1.786 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 -1.033 -1.599 2.983 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -0.093 -0.575 2.635 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 1.814 0.100 1.771 0.00 0.00 -0.250 N ATOM 23 H LIG 1 1.372 0.971 2.030 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 1.058 -1.001 2.054 0.00 0.00 +0.405 C ATOM 25 O LIG 1 1.331 -2.172 1.839 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 5.597 0.491 -0.013 0.00 0.00 +0.122 A ATOM 27 N LIG 1 4.894 1.573 0.385 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 3.677 1.387 0.954 0.00 0.00 +0.136 A ATOM 29 C LIG 1 3.083 0.150 1.170 0.00 0.00 +0.055 A ATOM 30 C LIG 1 3.811 -0.959 0.770 0.00 0.00 +0.028 A ATOM 31 C LIG 1 5.070 -0.786 0.183 0.00 0.00 +0.045 A BRANCH 26 34 ATOM 32 C LIG 1 8.070 2.634 0.272 0.00 0.00 +0.028 C ATOM 33 C LIG 1 7.287 2.047 -0.898 0.00 0.00 +0.072 C ATOM 34 N LIG 1 6.844 0.685 -0.571 0.00 0.00 -0.312 N ATOM 35 C LIG 1 7.470 -0.305 -1.439 0.00 0.00 +0.107 C ATOM 36 C LIG 1 8.680 0.428 -2.008 0.00 0.00 +0.021 C ATOM 37 C LIG 1 8.172 1.855 -2.140 0.00 0.00 +0.024 C ENDBRANCH 26 34 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6