REMARK Name = BDB059457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.374 2.198 1.396 0.00 0.00 +0.034 C ATOM 2 C LIG 1 -1.613 1.628 0.671 0.00 0.00 +0.047 C ATOM 3 C LIG 1 -2.859 2.532 0.766 0.00 0.00 +0.075 C ATOM 4 C LIG 1 -2.511 4.024 0.614 0.00 0.00 +0.022 C ATOM 5 C LIG 1 -1.140 4.244 -0.008 0.00 0.00 +0.004 C ATOM 6 C LIG 1 -0.024 3.601 0.818 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -0.635 2.328 2.911 0.00 0.00 +0.031 C ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 0.878 -0.012 1.563 0.00 0.00 +0.263 C ATOM 9 N LIG 1 0.786 1.312 1.186 0.00 0.00 -0.305 N ATOM 10 H LIG 1 1.633 1.681 0.757 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -0.010 -0.647 2.118 0.00 0.00 -0.269 OA BRANCH 8 15 ATOM 12 C LIG 1 4.642 -1.749 0.607 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.305 -0.422 0.330 0.00 0.00 +0.134 A ATOM 14 N LIG 1 3.116 0.156 0.624 0.00 0.00 -0.249 NA ATOM 15 C LIG 1 2.199 -0.646 1.235 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.431 -1.976 1.553 0.00 0.00 +0.035 A ATOM 17 C LIG 1 3.672 -2.531 1.231 0.00 0.00 +0.027 A BRANCH 12 19 ATOM 18 C LIG 1 6.454 -3.459 0.474 0.00 0.00 +0.241 C ATOM 19 N LIG 1 5.922 -2.212 0.234 0.00 0.00 -0.281 N ATOM 20 H LIG 1 6.529 -1.540 -0.216 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 5.950 -4.374 1.112 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 8.251 -3.154 -1.242 0.00 0.00 -0.007 C ATOM 23 C LIG 1 7.829 -3.641 -0.063 0.00 0.00 +0.064 C BRANCH 22 24 ATOM 24 C LIG 1 9.629 -3.398 -1.791 0.00 0.00 +0.111 C BRANCH 24 26 ATOM 25 C LIG 1 9.921 -1.311 -3.035 0.00 0.00 +0.104 C ATOM 26 N LIG 1 10.442 -2.200 -2.003 0.00 0.00 -0.305 NA ATOM 27 C LIG 1 10.741 -1.482 -0.769 0.00 0.00 +0.104 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 3 28 ATOM 28 N LIG 1 -3.800 2.126 -0.278 0.00 0.00 -0.311 N ATOM 29 H LIG 1 -3.712 1.164 -0.596 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.146 2.274 0.025 0.00 0.00 +0.216 A ATOM 31 N LIG 1 -5.953 1.339 -0.484 0.00 0.00 -0.213 NA ATOM 32 C LIG 1 -7.281 1.447 -0.229 0.00 0.00 +0.096 A ATOM 33 C LIG 1 -7.818 2.460 0.542 0.00 0.00 +0.085 A ATOM 34 CL LIG 1 -9.477 2.632 0.951 0.00 0.00 -0.080 Cl ATOM 35 C LIG 1 -6.899 3.362 1.023 0.00 0.00 +0.136 A ATOM 36 N LIG 1 -5.572 3.292 0.783 0.00 0.00 -0.221 NA BRANCH 32 37 ATOM 37 C LIG 1 -8.081 0.386 -0.823 0.00 0.00 +0.027 A ATOM 38 C LIG 1 -7.932 -1.031 -0.692 0.00 0.00 +0.009 A ATOM 39 C LIG 1 -8.924 -1.627 -1.473 0.00 0.00 +0.047 A ATOM 40 C LIG 1 -9.082 -3.014 -1.570 0.00 0.00 +0.026 A ATOM 41 C LIG 1 -8.197 -3.819 -0.847 0.00 0.00 +0.002 A ATOM 42 C LIG 1 -7.194 -3.257 -0.061 0.00 0.00 +0.001 A ATOM 43 N LIG 1 -9.632 -0.610 -2.073 0.00 0.00 -0.360 N ATOM 44 H LIG 1 -10.405 -0.750 -2.708 0.00 0.00 +0.165 HD ATOM 45 C LIG 1 -7.051 -1.868 0.025 0.00 0.00 +0.010 A ATOM 46 C LIG 1 -9.124 0.607 -1.702 0.00 0.00 +0.093 A ENDBRANCH 32 37 ENDBRANCH 28 30 ENDBRANCH 3 28 TORSDOF 9