REMARK Name = BDB057689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.959 -4.273 -2.152 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -2.804 -4.566 -1.268 0.00 0.00 +0.071 A ATOM 3 C LIG 1 -1.814 -3.684 -0.762 0.00 0.00 +0.063 A ATOM 4 C LIG 1 -1.471 -2.261 -0.829 0.00 0.00 +0.059 A ATOM 5 N LIG 1 -0.409 -1.813 -0.192 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 0.372 -2.682 0.537 0.00 0.00 +0.166 A ATOM 7 N LIG 1 0.067 -4.024 0.620 0.00 0.00 -0.196 N ATOM 8 N LIG 1 0.895 -4.763 1.362 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 1.780 -3.851 1.788 0.00 0.00 +0.145 A ATOM 10 C LIG 1 1.514 -2.535 1.307 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -1.019 -4.524 -0.025 0.00 0.00 +0.161 A ATOM 12 N LIG 1 -1.496 -5.775 -0.081 0.00 0.00 -0.260 N ATOM 13 H LIG 1 -1.140 -6.620 0.360 0.00 0.00 +0.191 HD ATOM 14 N LIG 1 -2.607 -5.834 -0.849 0.00 0.00 -0.177 NA ENDROOT BRANCH 4 15 ATOM 15 C LIG 1 -2.289 -1.260 -1.633 0.00 0.00 +0.042 C ATOM 16 C LIG 1 -2.812 -0.144 -0.686 0.00 0.00 +0.032 C ATOM 17 C LIG 1 -3.048 1.194 -1.402 0.00 0.00 +0.077 C ATOM 18 N LIG 1 -1.826 1.530 -2.115 0.00 0.00 -0.289 N ATOM 19 C LIG 1 -1.799 0.666 -3.280 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -3.246 0.709 -3.778 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -0.636 2.009 -1.562 0.00 0.00 +0.284 C ATOM 22 O LIG 1 0.426 1.862 -2.173 0.00 0.00 -0.267 OA ATOM 23 C LIG 1 -4.075 1.051 -2.534 0.00 0.00 +0.024 C ATOM 24 C LIG 1 -1.414 -0.746 -2.811 0.00 0.00 +0.032 C BRANCH 21 25 ATOM 25 C LIG 1 -0.657 2.646 -0.261 0.00 0.00 +0.217 A ATOM 26 N LIG 1 0.461 2.871 0.503 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.405 2.567 0.286 0.00 0.00 +0.168 HD ATOM 28 C LIG 1 0.027 3.452 1.654 0.00 0.00 +0.222 A ATOM 29 N LIG 1 -1.276 3.606 1.604 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -1.706 3.106 0.395 0.00 0.00 -0.125 NA ENDBRANCH 21 25 ENDBRANCH 4 15 BRANCH 10 31 ATOM 31 C LIG 1 2.194 -1.274 1.558 0.00 0.00 +0.005 A ATOM 32 C LIG 1 2.114 -0.196 0.682 0.00 0.00 +0.120 A ATOM 33 N LIG 1 2.675 1.025 0.898 0.00 0.00 -0.254 NA ATOM 34 C LIG 1 3.392 1.198 2.038 0.00 0.00 +0.071 A ATOM 35 C LIG 1 3.558 0.160 2.954 0.00 0.00 +0.029 A ATOM 36 C LIG 1 2.950 -1.078 2.713 0.00 0.00 +0.012 A BRANCH 34 37 ATOM 37 C LIG 1 3.950 2.552 2.234 0.00 0.00 +0.000 A ATOM 38 C LIG 1 4.313 3.345 1.128 0.00 0.00 +0.010 A ATOM 39 C LIG 1 4.822 4.637 1.289 0.00 0.00 +0.001 A ATOM 40 C LIG 1 4.977 5.169 2.565 0.00 0.00 +0.000 A ATOM 41 C LIG 1 4.623 4.410 3.677 0.00 0.00 +0.001 A ATOM 42 C LIG 1 4.114 3.118 3.513 0.00 0.00 +0.010 A ENDBRANCH 34 37 ENDBRANCH 10 31 TORSDOF 4