REMARK Name = BDB024183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.362 -1.106 0.727 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.317 -2.343 1.612 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.720 -2.260 2.955 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.689 -3.387 3.778 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.260 -4.611 3.269 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.865 -4.711 1.937 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.895 -3.586 1.112 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.075 -0.227 0.817 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.359 -0.002 1.758 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.987 -0.895 0.013 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.789 -1.326 -1.123 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.874 0.832 -0.166 0.00 0.00 +0.049 A ATOM 13 C LIG 1 2.980 0.216 -1.050 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.702 -0.147 -0.769 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.232 0.114 0.455 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.018 0.741 1.412 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.335 1.101 1.095 0.00 0.00 +0.028 A BRANCH 12 23 ATOM 18 C LIG 1 9.381 1.796 -1.344 0.00 0.00 +0.132 C ATOM 19 N LIG 1 8.027 1.454 -0.949 0.00 0.00 -0.302 N ATOM 20 C LIG 1 7.403 0.378 -1.576 0.00 0.00 +0.233 C ATOM 21 O LIG 1 8.019 -0.379 -2.332 0.00 0.00 -0.274 OA ATOM 22 C LIG 1 5.920 0.095 -1.254 0.00 0.00 +0.201 C ATOM 23 N LIG 1 5.181 1.175 -0.542 0.00 0.00 -0.318 N ATOM 24 C LIG 1 5.999 1.967 0.380 0.00 0.00 +0.124 C ATOM 25 C LIG 1 7.215 2.512 -0.370 0.00 0.00 +0.126 C ENDBRANCH 12 23 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -3.422 -1.140 -0.299 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.171 -1.842 -0.998 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.769 -1.358 0.222 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.835 -1.155 -0.869 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -6.074 0.297 -1.216 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -7.135 1.002 -0.631 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.348 2.348 -0.942 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.499 3.004 -1.839 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.437 2.309 -2.422 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.227 0.963 -2.112 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.715 4.386 -2.152 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.894 5.506 -2.399 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9