REMARK Name = BDB043028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.278 3.360 0.430 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.482 2.093 -0.083 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.747 1.436 -0.026 0.00 0.00 -0.200 N ATOM 4 C LIG 1 0.892 0.105 -0.485 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.200 -0.504 -0.977 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.497 0.259 -1.004 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.723 2.239 0.492 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.603 1.492 -0.576 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 1.094 3.382 0.763 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.493 4.827 2.057 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.292 4.452 0.588 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -0.923 5.689 -0.235 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.607 -0.394 -1.507 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -2.541 -1.411 -1.490 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.962 0.072 -1.239 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -4.473 -0.512 0.085 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -4.716 -2.035 -0.040 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -5.840 -2.539 0.889 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -5.849 -1.782 2.141 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -6.513 -2.192 2.798 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -6.192 -0.371 1.920 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -5.758 0.175 0.551 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -3.490 -2.713 0.259 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -3.366 -2.609 1.223 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 2.165 -0.469 -0.381 0.00 0.00 -0.323 N ATOM 26 H LIG 1 2.853 0.259 -0.149 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 2.703 -1.466 -1.300 0.00 0.00 +0.158 C BRANCH 27 28 ATOM 28 C LIG 1 4.086 -1.914 -0.869 0.00 0.00 +0.059 A ATOM 29 N LIG 1 5.105 -1.732 -1.749 0.00 0.00 -0.250 NA ATOM 30 C LIG 1 6.343 -2.120 -1.393 0.00 0.00 +0.071 A ATOM 31 C LIG 1 6.620 -2.712 -0.143 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.931 -3.100 0.183 0.00 0.00 +0.010 A ATOM 33 C LIG 1 8.970 -2.905 -0.726 0.00 0.00 +0.001 A ATOM 34 C LIG 1 8.702 -2.322 -1.959 0.00 0.00 +0.002 A ATOM 35 C LIG 1 5.556 -2.893 0.747 0.00 0.00 +0.012 A ATOM 36 C LIG 1 7.397 -1.937 -2.279 0.00 0.00 +0.028 A ATOM 37 C LIG 1 4.276 -2.491 0.382 0.00 0.00 +0.025 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 8