REMARK Name = BDB024341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.928 -1.292 0.022 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.610 -2.780 0.034 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.239 -3.431 1.222 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.918 -4.789 1.217 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.964 -5.512 0.028 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.334 -4.880 -1.158 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.656 -3.522 -1.157 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.682 -0.368 0.237 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.528 -0.906 -0.139 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.572 -1.866 -0.457 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.839 0.786 0.646 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.792 -0.321 -0.097 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.769 -1.140 -0.541 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 4.039 -0.660 -0.537 0.00 0.00 +0.123 A ATOM 15 C LIG 1 4.404 0.620 -0.129 0.00 0.00 +0.019 A ATOM 16 C LIG 1 3.368 1.433 0.335 0.00 0.00 +0.015 A ATOM 17 C LIG 1 2.051 0.965 0.349 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.802 1.104 -0.137 0.00 0.00 +0.079 A ATOM 19 N LIG 1 6.202 1.876 0.928 0.00 0.00 -0.237 NA ATOM 20 C LIG 1 7.417 2.313 0.918 0.00 0.00 +0.202 A ATOM 21 N LIG 1 8.331 2.071 -0.071 0.00 0.00 -0.302 N ATOM 22 C LIG 1 9.674 2.605 0.006 0.00 0.00 +0.153 C ATOM 23 C LIG 1 7.982 1.317 -1.168 0.00 0.00 +0.254 A ATOM 24 O LIG 1 8.731 1.052 -2.103 0.00 0.00 -0.268 OA ATOM 25 C LIG 1 6.599 0.812 -1.175 0.00 0.00 +0.098 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.939 -0.946 1.049 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.885 0.068 1.199 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.312 -1.316 0.686 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -6.400 -0.943 -0.692 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.977 -0.444 -0.411 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.979 1.040 -0.070 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.260 1.939 -0.872 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.229 3.302 -0.565 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.918 3.786 0.549 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -5.637 2.900 1.355 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.666 1.537 1.048 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -4.888 5.184 0.863 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -4.870 6.318 1.115 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9