REMARK Name = BDB024207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.804 -1.999 0.302 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.758 -3.314 1.068 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.108 -4.511 0.422 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.071 -5.726 1.108 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.694 -5.761 2.449 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.361 -4.580 3.108 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.397 -3.362 2.425 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.511 -1.162 0.541 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.433 -1.631 -0.178 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.527 -2.489 -0.708 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.500 -0.192 1.300 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 0.864 -1.126 -0.229 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.689 -1.862 -1.001 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 2.977 -1.446 -1.113 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.500 -0.316 -0.494 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.618 0.425 0.291 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.287 0.019 0.427 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.889 0.064 -0.672 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.623 0.842 0.199 0.00 0.00 +0.117 A ATOM 20 N LIG 1 6.887 0.952 -0.329 0.00 0.00 -0.266 N ATOM 21 N LIG 1 7.016 0.283 -1.493 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 5.810 -0.251 -1.696 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.025 1.688 0.253 0.00 0.00 +0.055 C ATOM 24 C LIG 1 8.374 1.091 1.629 0.00 0.00 +0.036 C ATOM 25 C LIG 1 7.652 3.174 0.413 0.00 0.00 +0.036 C ATOM 26 C LIG 1 9.286 1.608 -0.637 0.00 0.00 +0.036 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -4.009 -1.232 0.692 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.798 -0.786 1.588 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.343 -0.193 -0.290 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -6.825 -0.182 0.340 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -5.553 0.657 0.165 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -5.779 1.817 -0.797 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.243 1.611 -2.106 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -6.433 2.690 -2.974 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.159 3.992 -2.546 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -5.692 4.208 -1.248 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.503 3.129 -0.381 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -6.353 5.098 -3.436 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -6.509 5.994 -4.158 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10