REMARK Name = BDB057496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.001 1.028 -1.591 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.280 1.684 -1.219 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -2.099 2.453 -0.559 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -4.422 1.662 -0.048 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.442 1.004 -0.833 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.766 -0.276 -1.301 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -4.964 -0.909 -0.945 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -5.883 -0.267 -0.124 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -5.615 1.021 0.326 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -3.059 3.325 0.895 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -4.171 3.042 0.450 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -5.231 4.082 0.409 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.205 4.100 -0.597 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -7.179 5.100 -0.605 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.178 6.086 0.382 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.198 6.082 1.375 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.221 5.085 1.386 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.038 0.449 -3.009 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -1.007 -0.730 -3.333 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -1.123 1.402 -3.966 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -1.183 0.899 -4.803 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.530 0.014 -0.534 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 0.968 -0.197 -0.552 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.815 0.684 0.129 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.198 0.498 0.094 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.761 -0.566 -0.614 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.921 -1.442 -1.298 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.534 -1.259 -1.267 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 5.125 -0.623 -0.557 0.00 0.00 -0.489 OA BRANCH 29 30 ATOM 30 C LIG 1 5.793 -1.776 -1.077 0.00 0.00 +0.270 C BRANCH 30 31 ATOM 31 C LIG 1 5.749 -2.950 -0.096 0.00 0.00 +0.270 C BRANCH 31 32 ATOM 32 O LIG 1 6.590 -2.642 1.030 0.00 0.00 -0.486 OA BRANCH 32 33 ATOM 33 C LIG 1 6.422 -3.566 2.031 0.00 0.00 +0.157 A ATOM 34 C LIG 1 5.488 -3.338 3.051 0.00 0.00 +0.084 A ATOM 35 CL LIG 1 4.497 -1.924 3.073 0.00 0.00 -0.080 Cl ATOM 36 C LIG 1 5.340 -4.262 4.090 0.00 0.00 +0.024 A ATOM 37 C LIG 1 6.135 -5.408 4.127 0.00 0.00 +0.003 A ATOM 38 C LIG 1 7.087 -5.625 3.131 0.00 0.00 +0.024 A ATOM 39 C LIG 1 7.237 -4.703 2.090 0.00 0.00 +0.084 A ATOM 40 CL LIG 1 8.455 -5.008 0.903 0.00 0.00 -0.080 Cl ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 13