REMARK Name = BDB004976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.029 -0.658 -2.005 0.00 0.00 +0.127 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.295 -1.351 -1.688 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.400 -0.573 -1.287 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.634 -1.146 -0.938 0.00 0.00 +0.029 A ATOM 5 C LIG 1 2.761 -2.533 -1.059 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.675 -3.326 -1.437 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.446 -2.741 -1.737 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.699 -0.292 -0.631 0.00 0.00 -0.316 N ATOM 9 H LIG 1 3.375 0.593 -0.248 0.00 0.00 +0.149 HD BRANCH 8 10 ATOM 10 C LIG 1 4.856 -0.786 0.085 0.00 0.00 +0.231 C BRANCH 10 11 ATOM 11 C LIG 1 5.485 0.342 0.879 0.00 0.00 -0.001 A ATOM 12 C LIG 1 6.407 1.230 0.298 0.00 0.00 +0.009 A ATOM 13 C LIG 1 6.948 2.285 1.037 0.00 0.00 +0.015 A ATOM 14 C LIG 1 6.564 2.467 2.363 0.00 0.00 +0.018 A ATOM 15 BR LIG 1 7.292 3.896 3.364 0.00 0.00 -0.050 Br ATOM 16 C LIG 1 5.642 1.607 2.956 0.00 0.00 +0.015 A ATOM 17 C LIG 1 5.103 0.552 2.216 0.00 0.00 +0.009 A ENDBRANCH 10 11 BRANCH 10 18 ATOM 18 O LIG 1 5.755 -1.262 -0.889 0.00 0.00 -0.370 OA ATOM 19 H LIG 1 5.227 -1.164 -1.700 0.00 0.00 +0.212 HD ENDBRANCH 10 18 ENDBRANCH 8 10 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -1.911 -0.831 -0.830 0.00 0.00 -0.319 N ATOM 21 H LIG 1 -1.353 -0.870 0.021 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 -5.605 0.995 1.723 0.00 0.00 +0.063 A ATOM 23 C LIG 1 -4.749 1.059 0.603 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -3.773 0.052 0.471 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -2.916 0.144 -0.647 0.00 0.00 +0.130 A ATOM 26 N LIG 1 -3.043 1.110 -1.567 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -4.002 2.010 -1.361 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -3.691 -0.991 1.427 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -4.546 -1.038 2.519 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -4.846 2.039 -0.324 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.498 -0.044 2.668 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 -6.847 3.030 1.115 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -6.268 3.106 0.284 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -7.578 3.705 1.284 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 -6.679 2.003 1.995 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -7.400 1.921 2.984 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -1.725 -1.206 -3.280 0.00 0.00 +0.182 C BRANCH 37 38 ATOM 38 O LIG 1 -2.439 -2.421 -3.016 0.00 0.00 -0.393 OA ATOM 39 H LIG 1 -2.816 -2.284 -2.122 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 10