REMARK Name = BDB024327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.810 -0.041 0.390 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.083 -1.539 0.427 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.104 -2.302 -0.753 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.314 -3.680 -0.704 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.503 -4.313 0.522 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.488 -3.569 1.701 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.279 -2.190 1.655 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.318 0.342 0.105 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.607 -0.657 0.343 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.263 -1.579 0.571 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.062 1.493 -0.259 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.995 -0.535 0.218 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.564 0.640 -0.080 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.917 0.684 -0.183 0.00 0.00 +0.136 A ATOM 15 C LIG 1 4.785 -0.392 0.015 0.00 0.00 +0.049 A ATOM 16 C LIG 1 4.149 -1.600 0.318 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.757 -1.677 0.425 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 6.182 -0.330 -0.107 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.910 -0.827 1.093 0.00 0.00 +0.201 C ATOM 20 C LIG 1 8.448 -0.715 1.031 0.00 0.00 +0.233 C ATOM 21 O LIG 1 9.141 -1.356 1.827 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 9.009 0.177 0.119 0.00 0.00 -0.302 N ATOM 23 C LIG 1 10.454 0.217 -0.008 0.00 0.00 +0.132 C ATOM 24 C LIG 1 8.230 0.614 -1.033 0.00 0.00 +0.126 C ATOM 25 C LIG 1 6.766 0.887 -0.684 0.00 0.00 +0.124 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.657 0.640 -0.622 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.213 1.546 -0.810 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.024 0.858 -0.139 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -5.049 0.703 -2.478 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.902 1.551 -1.208 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -6.264 1.917 -0.631 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -7.183 0.932 -0.234 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -8.425 1.290 0.299 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -8.765 2.637 0.444 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.857 3.625 0.054 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.616 3.267 -0.479 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -10.038 3.003 0.992 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -11.069 3.299 1.437 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9