REMARK Name = BDB038683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.306 -0.001 -0.981 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -0.179 0.564 -2.113 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -1.482 0.406 -2.453 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -2.338 -0.314 -1.623 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -1.868 -0.869 -0.428 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -0.514 -0.714 -0.120 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.114 0.505 0.532 0.00 0.00 +0.018 A ATOM 8 C LIG 1 4.916 -0.110 0.909 0.00 0.00 +0.024 A ATOM 9 C LIG 1 3.801 0.140 0.127 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.435 -0.373 0.292 0.00 0.00 +0.253 C ATOM 11 N LIG 1 1.677 0.183 -0.728 0.00 0.00 -0.248 N ATOM 12 C LIG 1 2.471 1.019 -1.614 0.00 0.00 +0.151 C ATOM 13 O LIG 1 2.139 -1.151 1.178 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.829 0.961 -0.996 0.00 0.00 -0.018 A ATOM 15 C LIG 1 5.005 1.574 -1.382 0.00 0.00 +0.006 A ATOM 16 C LIG 1 6.151 1.341 -0.610 0.00 0.00 +0.012 A BRANCH 7 18 ATOM 17 C LIG 1 7.354 -0.550 2.541 0.00 0.00 +0.091 C ATOM 18 C LIG 1 7.378 0.308 1.303 0.00 0.00 +0.160 C ATOM 19 O LIG 1 8.416 0.843 0.919 0.00 0.00 -0.292 OA ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 -2.777 -1.606 0.469 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -3.070 -1.188 1.790 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -3.901 -1.980 2.605 0.00 0.00 +0.031 A ATOM 23 C LIG 1 -4.468 -3.162 2.122 0.00 0.00 +0.052 A ATOM 24 C LIG 1 -4.201 -3.568 0.815 0.00 0.00 +0.019 A ATOM 25 C LIG 1 -3.363 -2.801 0.002 0.00 0.00 +0.010 A BRANCH 21 26 ATOM 26 C LIG 1 -2.526 0.034 2.384 0.00 0.00 +0.164 A ATOM 27 N LIG 1 -2.768 1.326 1.985 0.00 0.00 -0.317 N ATOM 28 C LIG 1 -3.637 1.800 0.943 0.00 0.00 +0.152 C ATOM 29 C LIG 1 -2.065 2.127 2.833 0.00 0.00 +0.225 A ATOM 30 N LIG 1 -1.453 1.391 3.727 0.00 0.00 -0.138 NA ATOM 31 N LIG 1 -1.756 0.078 3.456 0.00 0.00 -0.129 NA ENDBRANCH 21 26 BRANCH 23 32 ATOM 32 C LIG 1 -5.322 -3.950 2.961 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -6.027 -4.587 3.627 0.00 0.00 -0.191 NA ENDBRANCH 23 32 ENDBRANCH 5 20 BRANCH 3 34 ATOM 34 C LIG 1 -1.927 1.055 -3.750 0.00 0.00 +0.038 C ATOM 35 C LIG 1 -2.963 0.420 -4.647 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -3.292 1.683 -3.901 0.00 0.00 +0.010 C ENDBRANCH 3 34 TORSDOF 6