REMARK Name = BDB059993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.744 1.571 0.845 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.509 2.990 0.340 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.889 4.075 1.148 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.695 5.389 0.718 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.127 5.637 -0.529 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.762 4.573 -1.351 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.957 3.257 -0.924 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.745 0.507 0.303 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.129 -0.431 -0.402 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.223 -1.385 -0.098 0.00 0.00 +0.076 A ATOM 11 N LIG 1 4.151 -0.295 0.708 0.00 0.00 -0.229 NA ATOM 12 C LIG 1 2.912 0.206 0.834 0.00 0.00 +0.139 A ATOM 13 C LIG 1 1.740 -0.255 0.248 0.00 0.00 +0.029 A ATOM 14 C LIG 1 0.676 0.607 0.677 0.00 0.00 +0.046 A ATOM 15 C LIG 1 1.255 1.550 1.516 0.00 0.00 +0.096 A ATOM 16 C LIG 1 1.854 -1.385 -0.579 0.00 0.00 +0.014 A ATOM 17 N LIG 1 2.602 1.297 1.593 0.00 0.00 -0.345 N ATOM 18 H LIG 1 3.284 1.820 2.123 0.00 0.00 +0.167 HD ATOM 19 C LIG 1 3.123 -1.950 -0.745 0.00 0.00 +0.029 A BRANCH 10 24 ATOM 20 C LIG 1 9.110 -2.169 0.310 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.720 -2.279 -0.059 0.00 0.00 -0.274 N ATOM 22 N LIG 1 7.331 -3.265 -0.887 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.014 -3.068 -1.006 0.00 0.00 +0.144 A ATOM 24 C LIG 1 5.552 -1.959 -0.260 0.00 0.00 +0.038 A ATOM 25 C LIG 1 6.698 -1.473 0.342 0.00 0.00 +0.118 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.162 1.127 0.709 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.184 0.132 0.948 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.710 1.268 -0.648 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.090 0.595 -0.775 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.090 -0.900 -0.537 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.320 -1.756 -1.335 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.322 -3.135 -1.107 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.102 -3.675 -0.081 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.880 -2.829 0.715 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.874 -1.450 0.487 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.106 -5.088 0.154 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.110 -6.233 0.346 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9