REMARK Name = BDB024792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.524 -3.974 1.906 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.592 -2.572 1.852 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.549 -1.919 2.771 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.002 -2.150 2.322 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.345 -0.406 2.954 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.871 -0.059 2.950 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.317 -0.489 1.623 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.417 0.310 0.887 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.900 1.545 1.196 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.120 1.879 0.188 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.110 0.884 -0.770 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.935 -0.131 -0.339 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.301 -1.361 -0.887 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.185 -2.154 -0.144 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.686 -1.750 1.102 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.321 -4.669 2.532 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 2.331 -5.931 1.375 0.00 0.00 +0.282 C ATOM 18 O LIG 1 2.449 -4.513 1.263 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -0.613 0.917 -2.030 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -2.039 0.346 -1.927 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -2.119 -1.117 -2.084 0.00 0.00 -0.300 NA ATOM 22 C LIG 1 -1.831 -1.548 -3.464 0.00 0.00 +0.087 C ATOM 23 C LIG 1 -2.477 -2.886 -3.809 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -3.999 -2.781 -3.728 0.00 0.00 +0.117 C ATOM 25 C LIG 1 -4.462 -1.853 -2.602 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -3.370 -1.676 -1.548 0.00 0.00 +0.087 C BRANCH 24 27 ATOM 27 O LIG 1 -4.530 -4.093 -3.546 0.00 0.00 -0.392 OA ATOM 28 H LIG 1 -5.501 -4.026 -3.555 0.00 0.00 +0.210 HD ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 -0.668 3.145 0.076 0.00 0.00 +0.096 C BRANCH 29 30 ATOM 30 C LIG 1 -0.472 4.067 1.283 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 N LIG 1 -1.363 5.231 1.227 0.00 0.00 -0.315 N ATOM 32 C LIG 1 -1.008 6.302 0.406 0.00 0.00 +0.251 A ATOM 33 O LIG 1 -0.006 6.340 -0.304 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -1.950 7.455 0.397 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -3.080 7.409 1.114 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -3.390 6.253 1.916 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -2.541 5.219 1.956 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8