REMARK Name = BDB049755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.197 0.138 -1.175 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.028 -0.168 -0.091 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -2.233 0.519 0.121 0.00 0.00 -0.038 A ATOM 4 C LIG 1 -2.599 1.526 -0.780 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.774 1.837 -1.861 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.576 1.145 -2.059 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 0.942 -0.614 -1.238 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.874 -0.383 -2.299 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.823 0.773 -1.983 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 2.618 0.746 1.385 0.00 0.00 +0.088 C ATOM 11 C LIG 1 3.698 0.427 0.437 0.00 0.00 +0.126 A ATOM 12 C LIG 1 3.821 0.420 -0.937 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.091 0.014 -1.283 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.687 -0.213 -0.127 0.00 0.00 +0.228 A ATOM 15 O LIG 1 4.891 0.019 0.965 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.050 -0.669 0.135 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.530 -0.869 1.439 0.00 0.00 +0.013 A ATOM 18 C LIG 1 8.839 -1.306 1.659 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.685 -1.548 0.579 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.225 -1.355 -0.721 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.916 -0.919 -0.940 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -3.133 0.156 1.284 0.00 0.00 +0.091 C BRANCH 22 23 ATOM 23 C LIG 1 -4.193 -0.828 0.889 0.00 0.00 +0.063 A ATOM 24 N LIG 1 -5.433 -0.501 0.343 0.00 0.00 -0.236 N ATOM 25 N LIG 1 -6.010 -1.587 -0.241 0.00 0.00 -0.174 NA ATOM 26 C LIG 1 -5.252 -2.613 0.129 0.00 0.00 +0.150 A ATOM 27 C LIG 1 -4.111 -2.220 0.848 0.00 0.00 +0.100 A BRANCH 24 28 ATOM 28 C LIG 1 -6.144 0.733 0.321 0.00 0.00 +0.066 A ATOM 29 C LIG 1 -7.049 0.974 -0.726 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -7.762 2.174 -0.782 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.596 3.130 0.217 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.732 2.881 1.281 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -6.014 1.682 1.341 0.00 0.00 +0.028 A ENDBRANCH 24 28 BRANCH 27 34 ATOM 34 C LIG 1 -3.058 -3.068 1.356 0.00 0.00 +0.340 C ATOM 35 O LIG 1 -2.098 -2.707 2.021 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.209 -4.376 1.051 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -2.420 -4.792 1.457 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10