REMARK Name = BDB042432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.233 1.080 2.167 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -2.190 0.655 1.083 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -1.731 0.209 -0.175 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.674 -0.182 -1.143 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -4.046 -0.144 -0.883 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -4.507 0.340 0.363 0.00 0.00 +0.052 A ATOM 7 C LIG 1 -3.572 0.725 1.333 0.00 0.00 +0.029 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 -5.907 0.366 0.590 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -6.356 -0.684 1.540 0.00 0.00 +0.120 C ATOM 10 C LIG 1 -6.917 -0.095 2.854 0.00 0.00 +0.103 C ATOM 11 N LIG 1 -7.988 0.913 2.695 0.00 0.00 -0.302 NA ATOM 12 C LIG 1 -9.316 0.323 2.843 0.00 0.00 +0.105 C ATOM 13 C LIG 1 -7.879 1.624 1.400 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -6.428 1.722 0.881 0.00 0.00 +0.120 C ENDBRANCH 6 8 BRANCH 3 15 ATOM 15 C LIG 1 -0.301 0.135 -0.510 0.00 0.00 -0.018 A ATOM 16 C LIG 1 0.368 -1.097 -0.509 0.00 0.00 +0.009 A ATOM 17 C LIG 1 1.726 -1.173 -0.836 0.00 0.00 +0.013 A ATOM 18 C LIG 1 2.437 -0.014 -1.163 0.00 0.00 +0.037 A ATOM 19 C LIG 1 1.774 1.218 -1.188 0.00 0.00 +0.013 A ATOM 20 C LIG 1 0.416 1.289 -0.861 0.00 0.00 +0.009 A BRANCH 18 21 ATOM 21 C LIG 1 3.881 -0.144 -1.506 0.00 0.00 +0.244 C ATOM 22 N LIG 1 4.673 0.959 -1.252 0.00 0.00 -0.311 N ATOM 23 H LIG 1 4.299 1.709 -0.688 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 4.315 -1.197 -1.958 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 6.109 0.910 -1.444 0.00 0.00 +0.106 C BRANCH 25 26 ATOM 26 C LIG 1 6.824 0.352 -0.215 0.00 0.00 +0.034 C BRANCH 26 27 ATOM 27 C LIG 1 8.337 0.283 -0.455 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 N LIG 1 9.055 -0.241 0.714 0.00 0.00 -0.298 NA ATOM 29 C LIG 1 10.384 -0.760 0.324 0.00 0.00 +0.112 C ATOM 30 C LIG 1 11.325 -0.873 1.532 0.00 0.00 +0.175 C ATOM 31 O LIG 1 11.623 0.400 2.122 0.00 0.00 -0.377 OA ATOM 32 C LIG 1 10.580 1.364 1.931 0.00 0.00 +0.175 C ATOM 33 C LIG 1 9.181 0.734 1.819 0.00 0.00 +0.112 C ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 18 21 ENDBRANCH 3 15 BRANCH 5 34 ATOM 34 N LIG 1 -5.022 -0.486 -1.855 0.00 0.00 -0.296 N ATOM 35 H LIG 1 -5.929 -0.479 -1.379 0.00 0.00 +0.154 HD BRANCH 34 36 ATOM 36 C LIG 1 -4.989 -1.556 -2.788 0.00 0.00 +0.148 A ATOM 37 C LIG 1 -6.075 -1.664 -3.664 0.00 0.00 +0.102 A ATOM 38 C LIG 1 -6.026 -2.790 -4.476 0.00 0.00 +0.155 A ATOM 39 CL LIG 1 -7.313 -3.159 -5.563 0.00 0.00 -0.060 Cl ATOM 40 N LIG 1 -5.010 -3.667 -4.543 0.00 0.00 -0.222 NA ATOM 41 C LIG 1 -4.002 -3.411 -3.709 0.00 0.00 +0.225 A ATOM 42 N LIG 1 -3.939 -2.401 -2.833 0.00 0.00 -0.219 NA BRANCH 37 43 ATOM 43 N LIG 1 -7.209 -0.820 -3.547 0.00 0.00 -0.353 N ATOM 44 H LIG 1 -6.934 0.118 -3.253 0.00 0.00 +0.143 HD ATOM 45 H LIG 1 -7.768 -0.808 -4.398 0.00 0.00 +0.143 HD ENDBRANCH 37 43 ENDBRANCH 34 36 ENDBRANCH 5 34 TORSDOF 10