REMARK Name = BDB062468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.345 -1.078 1.645 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.207 -0.340 0.482 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.540 -0.908 -0.061 0.00 0.00 +0.122 C ATOM 4 N LIG 1 2.577 -0.940 0.983 0.00 0.00 -0.313 N ATOM 5 C LIG 1 2.098 -0.848 2.370 0.00 0.00 +0.122 C ATOM 6 C LIG 1 0.746 -1.581 2.516 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.814 -0.361 0.726 0.00 0.00 +0.122 A ATOM 8 N LIG 1 4.428 0.332 1.714 0.00 0.00 -0.238 NA ATOM 9 C LIG 1 5.644 0.875 1.468 0.00 0.00 +0.136 A ATOM 10 C LIG 1 6.303 0.768 0.257 0.00 0.00 +0.055 A ATOM 11 N LIG 1 7.563 1.338 0.052 0.00 0.00 -0.284 N ATOM 12 H LIG 1 8.073 1.747 0.825 0.00 0.00 +0.155 HD ATOM 13 C LIG 1 8.191 1.381 -1.165 0.00 0.00 +0.218 C ATOM 14 C LIG 1 7.373 0.949 -2.362 0.00 0.00 +0.101 C ATOM 15 C LIG 1 6.441 -0.207 -2.036 0.00 0.00 +0.046 C ATOM 16 O LIG 1 9.325 1.840 -1.273 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 5.694 0.042 -0.758 0.00 0.00 -0.021 A ATOM 18 C LIG 1 4.444 -0.536 -0.511 0.00 0.00 +0.049 A ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 C LIG 1 -1.294 -0.251 2.406 0.00 0.00 +0.121 C BRANCH 19 29 ATOM 20 C LIG 1 -6.794 0.277 -1.048 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -6.464 -1.181 -0.908 0.00 0.00 +0.252 A ATOM 22 O LIG 1 -7.174 -2.055 -1.394 0.00 0.00 -0.268 OA ATOM 23 N LIG 1 -5.327 -1.499 -0.210 0.00 0.00 -0.321 N ATOM 24 H LIG 1 -5.116 -2.485 -0.128 0.00 0.00 +0.169 HD ATOM 25 C LIG 1 -4.491 -0.540 0.371 0.00 0.00 +0.068 A ATOM 26 C LIG 1 -4.799 0.813 0.254 0.00 0.00 +0.088 A ATOM 27 N LIG 1 -4.049 1.803 0.784 0.00 0.00 -0.253 NA ATOM 28 C LIG 1 -2.940 1.417 1.458 0.00 0.00 +0.116 A ATOM 29 C LIG 1 -2.541 0.091 1.627 0.00 0.00 -0.013 A ATOM 30 C LIG 1 -3.349 -0.908 1.070 0.00 0.00 +0.034 A ATOM 31 C LIG 1 -5.998 1.201 -0.479 0.00 0.00 +0.038 A BRANCH 20 33 ATOM 32 C LIG 1 -7.858 0.544 -3.308 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -8.047 0.630 -1.800 0.00 0.00 +0.037 C ENDBRANCH 20 33 ENDBRANCH 19 29 ENDBRANCH 1 19 TORSDOF 4