REMARK Name = BDB024797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.090 -3.557 -1.408 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.859 -2.380 -0.673 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.060 -1.621 -0.261 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.839 -2.353 0.843 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.787 -0.191 0.227 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.724 0.464 -0.627 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.475 -0.359 -0.495 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.200 0.234 -0.390 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.860 1.565 -0.376 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.548 1.610 -0.272 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.024 0.336 -0.228 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.067 -0.561 -0.285 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.131 -1.955 -0.256 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.401 -2.535 -0.370 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.568 -1.770 -0.518 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.206 -4.040 -1.579 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.200 -5.263 -2.776 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.976 -4.098 -1.980 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.383 -0.020 -0.197 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 1.919 -0.173 1.231 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.371 -0.399 1.242 0.00 0.00 -0.300 NA ATOM 22 C LIG 1 3.925 -0.335 2.605 0.00 0.00 +0.097 C ATOM 23 C LIG 1 5.339 -0.858 2.389 0.00 0.00 +0.090 C ATOM 24 C LIG 1 5.189 -1.894 1.271 0.00 0.00 +0.029 C ATOM 25 C LIG 1 3.762 -1.728 0.760 0.00 0.00 +0.085 C BRANCH 23 26 ATOM 26 C LIG 1 5.949 -1.421 3.654 0.00 0.00 +0.215 C ATOM 27 O LIG 1 5.409 -1.404 4.754 0.00 0.00 -0.276 OA ATOM 28 N LIG 1 7.204 -1.938 3.502 0.00 0.00 -0.329 N ATOM 29 H LIG 1 7.679 -2.249 4.340 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 7.747 -1.817 2.658 0.00 0.00 +0.145 HD ENDBRANCH 23 26 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.261 2.866 -0.220 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 0.593 3.369 -1.627 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 1.603 4.430 -1.605 0.00 0.00 -0.315 N ATOM 34 C LIG 1 1.187 5.739 -1.351 0.00 0.00 +0.251 A ATOM 35 O LIG 1 0.026 6.081 -1.151 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 2.262 6.768 -1.322 0.00 0.00 +0.070 A ATOM 37 C LIG 1 3.541 6.415 -1.507 0.00 0.00 +0.007 A ATOM 38 C LIG 1 3.893 5.037 -1.734 0.00 0.00 +0.018 A ATOM 39 C LIG 1 2.938 4.101 -1.776 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8