REMARK Name = BDB010762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.604 -1.752 -0.458 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.213 -1.690 -0.307 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.439 -2.728 0.340 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.780 -2.554 0.330 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 2.029 -1.446 -0.348 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -0.161 -3.799 0.878 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.474 -3.790 0.682 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.816 -0.829 -0.674 0.00 0.00 -0.323 N ATOM 9 N LIG 1 -2.215 -2.848 0.041 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.470 -1.062 -0.775 0.00 0.00 +0.048 C ATOM 11 C LIG 1 3.814 0.429 -0.590 0.00 0.00 +0.024 C ATOM 12 C LIG 1 3.608 -1.405 -2.280 0.00 0.00 +0.024 C BRANCH 10 13 ATOM 13 C LIG 1 4.519 -1.825 0.093 0.00 0.00 -0.034 A ATOM 14 C LIG 1 5.509 -2.662 -0.453 0.00 0.00 +0.004 A ATOM 15 C LIG 1 6.447 -3.304 0.363 0.00 0.00 +0.000 A ATOM 16 C LIG 1 6.418 -3.126 1.742 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.447 -2.310 2.310 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.511 -1.667 1.496 0.00 0.00 +0.004 A ENDBRANCH 10 13 ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 -2.369 -0.798 -1.106 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -2.025 0.144 -1.014 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 -4.351 -0.067 -2.270 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.832 -0.893 -1.091 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 -4.407 -0.438 0.257 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -5.947 -0.299 0.434 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.653 0.826 1.449 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -4.315 1.047 0.713 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 27 ATOM 27 C LIG 1 -2.281 -4.945 1.214 0.00 0.00 +0.375 C ATOM 28 O LIG 1 -1.861 -5.901 1.842 0.00 0.00 -0.242 OA BRANCH 27 29 ATOM 29 O LIG 1 -3.600 -4.783 0.900 0.00 0.00 -0.475 OA ATOM 30 H LIG 1 -3.704 -3.948 0.387 0.00 0.00 +0.296 HD ENDBRANCH 27 29 ENDBRANCH 7 27 BRANCH 8 31 ATOM 31 C LIG 1 0.642 0.443 -1.358 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 0.662 1.677 -0.428 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -0.591 1.811 0.448 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -0.516 3.042 1.351 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -0.315 4.324 0.534 0.00 0.00 -0.014 C ATOM 36 C LIG 1 -0.189 5.537 1.454 0.00 0.00 +0.007 C ATOM 37 C LIG 1 0.914 4.203 -0.375 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.848 2.958 -1.259 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 9