REMARK Name = BDB019586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.541 0.155 -0.899 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.791 1.490 -0.551 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.855 1.831 0.299 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.673 0.796 0.786 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.445 -0.546 0.438 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.376 -0.857 -0.415 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.105 3.233 0.672 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.088 4.031 1.215 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -1.359 5.353 1.560 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -0.279 6.213 2.145 0.00 0.00 +0.065 C ATOM 11 N LIG 1 -2.577 5.914 1.393 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -3.547 5.139 0.866 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -3.364 3.816 0.498 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 1.202 -1.368 -1.653 0.00 0.00 -0.307 N ATOM 15 H LIG 1 0.995 -1.908 -0.825 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 0.603 -0.136 -1.806 0.00 0.00 +0.244 C ATOM 17 O LIG 1 0.985 0.714 -2.603 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 2.422 -1.702 -2.354 0.00 0.00 +0.140 C BRANCH 18 22 ATOM 19 C LIG 1 5.838 -0.895 0.171 0.00 0.00 +0.162 A ATOM 20 C LIG 1 5.235 0.149 -0.558 0.00 0.00 +0.162 A ATOM 21 C LIG 1 4.136 -0.129 -1.380 0.00 0.00 +0.054 A ATOM 22 C LIG 1 3.627 -1.433 -1.490 0.00 0.00 -0.027 A ATOM 23 C LIG 1 4.227 -2.459 -0.754 0.00 0.00 +0.009 A ATOM 24 C LIG 1 5.327 -2.193 0.067 0.00 0.00 +0.050 A BRANCH 19 26 ATOM 25 C LIG 1 7.568 -1.577 1.673 0.00 0.00 +0.277 C ATOM 26 O LIG 1 6.909 -0.544 0.955 0.00 0.00 -0.491 OA ENDBRANCH 19 26 BRANCH 20 27 ATOM 27 O LIG 1 5.786 1.397 -0.398 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 5.200 2.470 -1.120 0.00 0.00 +0.277 C ENDBRANCH 20 27 ENDBRANCH 18 22 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -3.351 -1.641 0.949 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 N LIG 1 -4.157 -2.140 -0.148 0.00 0.00 -0.313 N ATOM 31 H LIG 1 -4.589 -1.400 -0.688 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.984 -3.188 0.053 0.00 0.00 +0.176 C ATOM 33 N LIG 1 -5.848 -3.411 -0.971 0.00 0.00 -0.316 N ATOM 34 H LIG 1 -5.428 -3.299 -1.886 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -6.452 -4.707 -0.735 0.00 0.00 +0.127 C ATOM 36 C LIG 1 -6.120 -4.935 0.743 0.00 0.00 +0.163 C ATOM 37 N LIG 1 -5.016 -3.991 1.073 0.00 0.00 -0.255 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9