REMARK Name = BDB049143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.266 0.320 -0.028 0.00 0.00 +0.158 C ENDROOT BRANCH 1 3 ATOM 2 CA LIG 1 -1.312 -1.781 -1.226 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.184 -0.885 -0.158 0.00 0.00 +0.016 A ATOM 4 C LIG 1 -2.109 -1.324 0.860 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -2.845 -2.382 0.334 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -3.866 -3.030 1.042 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -4.133 -2.584 2.338 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -3.409 -1.541 2.906 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -5.378 -3.346 3.251 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -2.394 -0.906 2.179 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -2.363 -2.618 -0.926 0.00 0.00 -0.349 N ATOM 12 H LIG 1 -2.690 -3.350 -1.544 0.00 0.00 +0.166 HD BRANCH 2 14 ATOM 13 O LIG 1 -0.972 -2.597 -3.428 0.00 0.00 -0.243 OA ATOM 14 C LIG 1 -0.601 -1.943 -2.466 0.00 0.00 +0.354 C BRANCH 14 15 ATOM 15 OXT LIG 1 0.589 -1.320 -2.466 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 0.941 -1.473 -3.366 0.00 0.00 +0.295 HD ENDBRANCH 14 15 ENDBRANCH 2 14 ENDBRANCH 1 3 BRANCH 1 17 ATOM 17 C LIG 1 -0.356 1.255 -1.206 0.00 0.00 +0.178 A ATOM 18 N LIG 1 -1.516 1.809 -1.738 0.00 0.00 -0.195 N ATOM 19 N LIG 1 -1.204 2.311 -2.961 0.00 0.00 -0.039 NA ATOM 20 N LIG 1 0.107 2.222 -3.080 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 0.648 1.581 -2.009 0.00 0.00 -0.111 NA BRANCH 18 22 ATOM 22 C LIG 1 -2.845 1.930 -1.250 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -3.890 2.125 -2.172 0.00 0.00 +0.029 A ATOM 24 C LIG 1 -5.213 2.238 -1.734 0.00 0.00 +0.022 A ATOM 25 C LIG 1 -5.498 2.175 -0.374 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -7.123 2.311 0.170 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -4.468 2.018 0.551 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -3.142 1.907 0.116 0.00 0.00 +0.029 A ENDBRANCH 18 22 ENDBRANCH 1 17 BRANCH 1 29 ATOM 29 N LIG 1 1.081 -0.237 0.189 0.00 0.00 -0.303 NA ATOM 30 H LIG 1 1.409 -0.563 -0.725 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 2.024 0.727 0.752 0.00 0.00 +0.085 C BRANCH 31 32 ATOM 32 C LIG 1 3.423 0.100 0.922 0.00 0.00 +0.003 C ATOM 33 C LIG 1 4.363 1.073 1.645 0.00 0.00 +0.005 C ATOM 34 C LIG 1 5.720 0.435 1.956 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.134 -0.642 0.954 0.00 0.00 +0.000 C ATOM 36 C LIG 1 5.565 -0.370 -0.431 0.00 0.00 +0.000 C ATOM 37 C LIG 1 4.034 -0.339 -0.426 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 8