REMARK Name = BDB024796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.035 -0.793 1.934 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.621 0.096 0.927 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.467 1.289 0.711 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.810 0.917 0.062 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.822 2.393 -0.143 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.346 2.522 0.172 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.707 1.200 -0.139 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.453 1.108 -0.775 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.628 2.111 -1.214 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.436 1.522 -1.724 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.310 0.150 -1.652 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.897 -0.134 -1.048 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.543 -1.329 -0.725 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.781 -1.229 -0.076 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.362 0.007 0.244 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.117 -0.709 2.509 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 4.494 -2.588 3.354 0.00 0.00 +0.282 C ATOM 18 O LIG 1 4.104 -1.726 2.284 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.235 -0.855 -2.153 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -2.080 -1.492 -1.039 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -2.872 -2.656 -1.500 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 -3.974 -2.245 -2.372 0.00 0.00 +0.105 C BRANCH 21 23 ATOM 23 C LIG 1 -3.282 -3.501 -0.349 0.00 0.00 +0.084 C ATOM 24 C LIG 1 -3.994 -4.805 -0.737 0.00 0.00 +0.178 C ATOM 25 O LIG 1 -5.409 -4.595 -0.607 0.00 0.00 -0.378 OA ATOM 26 C LIG 1 -5.626 -3.406 0.162 0.00 0.00 +0.161 C ATOM 27 C LIG 1 -4.278 -2.905 0.635 0.00 0.00 +0.049 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 28 ATOM 28 C LIG 1 -1.592 2.267 -2.314 0.00 0.00 +0.096 C BRANCH 28 29 ATOM 29 C LIG 1 -2.780 2.430 -1.358 0.00 0.00 +0.132 C BRANCH 29 30 ATOM 30 N LIG 1 -2.448 3.073 -0.086 0.00 0.00 -0.315 N ATOM 31 C LIG 1 -2.281 2.274 1.048 0.00 0.00 +0.251 A ATOM 32 O LIG 1 -2.469 1.059 1.084 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -1.870 2.979 2.292 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -1.683 4.304 2.285 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -1.867 5.061 1.075 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -2.230 4.442 -0.055 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 8