REMARK Name = BDB064509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.613 -1.586 1.009 0.00 0.00 +0.084 C ATOM 2 N LIG 1 -1.618 -0.858 0.209 0.00 0.00 -0.264 N ATOM 3 C LIG 1 -2.053 0.389 0.646 0.00 0.00 +0.403 C ATOM 4 O LIG 1 -1.619 0.963 1.638 0.00 0.00 -0.226 OA ATOM 5 C LIG 1 -2.362 -1.627 -0.783 0.00 0.00 +0.116 C ATOM 6 C LIG 1 -2.962 -2.882 -0.145 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -1.841 -3.803 0.397 0.00 0.00 +0.066 C ATOM 8 N LIG 1 -2.222 -4.530 1.620 0.00 0.00 -0.299 NA ATOM 9 C LIG 1 -3.612 -4.984 1.583 0.00 0.00 +0.085 C ATOM 10 C LIG 1 -4.577 -3.797 1.583 0.00 0.00 +0.016 C ATOM 11 C LIG 1 -1.303 -5.639 1.913 0.00 0.00 +0.085 C ATOM 12 C LIG 1 0.148 -5.352 1.508 0.00 0.00 +0.016 C ATOM 13 C LIG 1 0.451 -3.859 1.545 0.00 0.00 +0.008 C ATOM 14 C LIG 1 -3.994 -2.540 0.939 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -0.478 -3.077 0.586 0.00 0.00 +0.027 C ENDROOT BRANCH 1 16 ATOM 16 C LIG 1 0.755 -0.851 1.001 0.00 0.00 +0.023 C BRANCH 16 17 ATOM 17 C LIG 1 1.398 -0.715 -0.385 0.00 0.00 +0.011 C BRANCH 17 18 ATOM 18 C LIG 1 2.684 0.106 -0.317 0.00 0.00 +0.096 C BRANCH 18 20 ATOM 19 O LIG 1 2.909 -0.253 -2.705 0.00 0.00 -0.276 OA ATOM 20 C LIG 1 3.347 0.245 -1.674 0.00 0.00 +0.213 C ATOM 21 N LIG 1 4.503 0.989 -1.624 0.00 0.00 -0.315 N ATOM 22 H LIG 1 4.934 1.168 -0.718 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 5.359 1.167 -2.774 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 C LIG 1 6.216 -0.063 -3.090 0.00 0.00 +0.026 C BRANCH 24 25 ATOM 25 C LIG 1 6.885 -0.724 -1.882 0.00 0.00 +0.076 C BRANCH 25 26 ATOM 26 C LIG 1 7.646 0.239 -1.036 0.00 0.00 +0.108 A ATOM 27 N LIG 1 9.000 0.425 -1.156 0.00 0.00 -0.342 N ATOM 28 H LIG 1 9.608 -0.055 -1.804 0.00 0.00 +0.167 HD ATOM 29 C LIG 1 9.384 1.372 -0.242 0.00 0.00 +0.069 A ATOM 30 C LIG 1 8.205 1.722 0.408 0.00 0.00 +0.089 A ATOM 31 C LIG 1 8.239 2.688 1.426 0.00 0.00 +0.032 A ATOM 32 C LIG 1 9.470 3.269 1.755 0.00 0.00 +0.040 A ATOM 33 C LIG 1 10.630 2.893 1.083 0.00 0.00 +0.125 A ATOM 34 F LIG 1 11.792 3.466 1.421 0.00 0.00 -0.205 F ATOM 35 C LIG 1 10.623 1.935 0.067 0.00 0.00 +0.066 A ATOM 36 N LIG 1 7.142 1.014 -0.096 0.00 0.00 -0.232 NA ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 BRANCH 3 37 ATOM 37 O LIG 1 -3.019 0.920 -0.154 0.00 0.00 -0.449 OA BRANCH 37 38 ATOM 38 C LIG 1 -3.502 2.209 0.267 0.00 0.00 +0.246 C BRANCH 38 39 ATOM 39 C LIG 1 -4.527 2.724 -0.748 0.00 0.00 +0.088 C ATOM 40 C LIG 1 -4.862 4.197 -0.541 0.00 0.00 -0.029 A ATOM 41 C LIG 1 -6.242 4.356 -0.285 0.00 0.00 -0.014 A ATOM 42 C LIG 1 -6.777 5.614 -0.068 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -5.921 6.720 -0.113 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -4.551 6.559 -0.378 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -6.877 3.056 -0.313 0.00 0.00 -0.014 A ATOM 46 C LIG 1 -8.203 2.697 -0.127 0.00 0.00 +0.009 A ATOM 47 C LIG 1 -8.547 1.345 -0.223 0.00 0.00 +0.001 A ATOM 48 C LIG 1 -7.574 0.373 -0.507 0.00 0.00 +0.000 A ATOM 49 C LIG 1 -6.239 0.734 -0.695 0.00 0.00 +0.005 A ATOM 50 C LIG 1 -4.011 5.291 -0.598 0.00 0.00 +0.005 A ATOM 51 C LIG 1 -5.900 2.074 -0.587 0.00 0.00 -0.029 A ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 3 37 TORSDOF 11