REMARK Name = BDB043022 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.575 0.703 0.065 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.493 2.046 0.503 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -0.732 2.707 0.599 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -0.457 3.986 1.048 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.948 4.010 1.188 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.911 2.097 0.281 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.853 0.858 -0.142 0.00 0.00 +0.124 A ATOM 8 N LIG 1 1.533 2.858 0.862 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.572 0.085 -0.265 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -1.438 5.087 1.315 0.00 0.00 +0.018 C ATOM 11 C LIG 1 -1.222 6.272 0.373 0.00 0.00 +0.012 C ATOM 12 C LIG 1 -1.390 5.547 2.774 0.00 0.00 +0.012 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.847 0.122 0.033 0.00 0.00 -0.323 N ATOM 14 H LIG 1 2.562 0.841 0.196 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 2.290 -0.873 -0.940 0.00 0.00 +0.160 C BRANCH 15 22 ATOM 16 C LIG 1 8.886 -3.565 1.196 0.00 0.00 +0.045 C ATOM 17 C LIG 1 7.750 -2.978 0.421 0.00 0.00 -0.034 A ATOM 18 C LIG 1 6.521 -2.770 0.933 0.00 0.00 +0.096 A ATOM 19 N LIG 1 5.527 -2.220 0.127 0.00 0.00 -0.306 N ATOM 20 C LIG 1 5.718 -1.872 -1.204 0.00 0.00 +0.138 A ATOM 21 N LIG 1 4.616 -1.385 -1.737 0.00 0.00 -0.231 NA ATOM 22 C LIG 1 3.680 -1.392 -0.723 0.00 0.00 +0.077 A ATOM 23 C LIG 1 7.014 -2.086 -1.748 0.00 0.00 +0.047 A ATOM 24 C LIG 1 4.228 -1.914 0.434 0.00 0.00 +0.117 A ATOM 25 C LIG 1 7.987 -2.610 -0.976 0.00 0.00 +0.008 A ENDBRANCH 15 22 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 26 ATOM 26 N LIG 1 -3.068 0.288 -0.440 0.00 0.00 -0.329 N ATOM 27 H LIG 1 -3.789 0.998 -0.325 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.309 -0.503 -1.641 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 C LIG 1 -4.423 -1.537 -1.411 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -5.760 -0.923 -0.977 0.00 0.00 +0.133 C ATOM 31 C LIG 1 -6.840 -2.024 -0.864 0.00 0.00 +0.112 C ATOM 32 N LIG 1 -6.355 -3.331 -0.408 0.00 0.00 -0.314 NA ATOM 33 H LIG 1 -7.090 -3.810 0.110 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -5.147 -3.216 0.397 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -3.990 -2.650 -0.432 0.00 0.00 +0.023 C BRANCH 30 36 ATOM 36 O LIG 1 -6.162 0.072 -1.917 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 -7.025 0.416 -1.628 0.00 0.00 +0.210 HD ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 8