REMARK Name = BDB059218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.204 -3.715 1.271 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.099 -2.715 0.855 0.00 0.00 +0.046 A ATOM 3 C LIG 1 2.411 -2.627 1.359 0.00 0.00 +0.035 A ATOM 4 C LIG 1 2.807 -3.581 2.298 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.927 -4.579 2.725 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.630 -4.645 2.215 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.118 -4.596 0.929 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.087 -3.701 0.701 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -1.249 -2.972 0.017 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.074 -5.601 1.629 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 -4.974 -2.755 -0.804 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -3.783 -2.993 -0.113 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -3.392 -4.303 0.204 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -4.223 -5.376 -0.138 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -5.422 -5.144 -0.809 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -5.793 -3.840 -1.142 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 -4.715 -0.284 -1.070 0.00 0.00 +0.241 C ATOM 18 N LIG 1 -5.417 -1.468 -1.180 0.00 0.00 -0.282 N ATOM 19 H LIG 1 -6.329 -1.430 -1.615 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -3.569 -0.144 -0.664 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 -4.983 2.115 -1.546 0.00 0.00 -0.007 C ATOM 22 C LIG 1 -5.516 0.883 -1.541 0.00 0.00 +0.064 C BRANCH 21 23 ATOM 23 C LIG 1 -5.711 3.345 -2.008 0.00 0.00 +0.111 C BRANCH 23 25 ATOM 24 C LIG 1 -6.732 3.934 0.126 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -5.916 4.384 -0.997 0.00 0.00 -0.305 NA ATOM 26 C LIG 1 -4.671 4.993 -0.537 0.00 0.00 +0.104 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 27 ATOM 27 N LIG 1 3.240 -1.603 0.887 0.00 0.00 -0.284 N ATOM 28 H LIG 1 2.838 -0.953 0.227 0.00 0.00 +0.155 HD BRANCH 27 29 ATOM 29 C LIG 1 4.555 -1.228 1.137 0.00 0.00 +0.220 A ATOM 30 N LIG 1 4.963 -0.137 0.473 0.00 0.00 -0.213 NA ATOM 31 C LIG 1 6.239 0.285 0.661 0.00 0.00 +0.096 A ATOM 32 C LIG 1 7.123 -0.349 1.512 0.00 0.00 +0.085 A ATOM 33 CL LIG 1 8.731 0.154 1.840 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 6.609 -1.454 2.147 0.00 0.00 +0.136 A ATOM 35 N LIG 1 5.349 -1.908 1.975 0.00 0.00 -0.221 NA BRANCH 31 36 ATOM 36 C LIG 1 6.582 1.473 -0.105 0.00 0.00 +0.027 A ATOM 37 C LIG 1 5.924 2.743 -0.135 0.00 0.00 +0.009 A ATOM 38 C LIG 1 6.613 3.546 -1.047 0.00 0.00 +0.047 A ATOM 39 C LIG 1 6.246 4.869 -1.320 0.00 0.00 +0.026 A ATOM 40 C LIG 1 5.139 5.388 -0.641 0.00 0.00 +0.002 A ATOM 41 C LIG 1 4.429 4.613 0.272 0.00 0.00 +0.001 A ATOM 42 N LIG 1 7.636 2.785 -1.564 0.00 0.00 -0.360 N ATOM 43 H LIG 1 8.294 3.110 -2.259 0.00 0.00 +0.165 HD ATOM 44 C LIG 1 4.810 3.292 0.534 0.00 0.00 +0.010 A ATOM 45 C LIG 1 7.619 1.529 -1.018 0.00 0.00 +0.093 A ENDBRANCH 31 36 ENDBRANCH 27 29 ENDBRANCH 3 27 TORSDOF 9