REMARK Name = BDB013109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.665 -0.760 -0.353 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.391 -1.304 0.742 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -2.694 -0.899 0.896 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -3.161 -1.579 1.984 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -2.205 -2.330 2.484 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -3.324 0.021 0.048 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.650 0.519 -0.955 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -1.087 -2.158 1.698 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 -1.338 0.123 -1.124 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.380 -1.674 -1.286 0.00 0.00 +0.043 A ATOM 11 N LIG 1 2.466 -1.654 -2.286 0.00 0.00 -0.259 NA ATOM 12 C LIG 1 1.185 -1.365 -1.950 0.00 0.00 +0.119 A ATOM 13 C LIG 1 0.748 -1.069 -0.660 0.00 0.00 +0.005 A ATOM 14 C LIG 1 1.714 -1.105 0.347 0.00 0.00 +0.012 A ATOM 15 C LIG 1 3.040 -1.406 0.036 0.00 0.00 +0.024 A BRANCH 10 16 ATOM 16 C LIG 1 4.803 -1.998 -1.667 0.00 0.00 +0.071 C BRANCH 16 17 ATOM 17 C LIG 1 5.674 -0.742 -1.832 0.00 0.00 +0.090 C BRANCH 17 23 ATOM 18 O LIG 1 9.189 2.810 2.238 0.00 0.00 -0.279 OA ATOM 19 C LIG 1 9.243 1.681 1.770 0.00 0.00 +0.328 C ATOM 20 N LIG 1 8.317 1.121 0.923 0.00 0.00 -0.302 N ATOM 21 C LIG 1 7.149 1.884 0.499 0.00 0.00 +0.123 C ATOM 22 C LIG 1 6.490 1.278 -0.751 0.00 0.00 +0.103 C ATOM 23 N LIG 1 6.081 -0.128 -0.556 0.00 0.00 -0.299 NA ATOM 24 C LIG 1 7.088 -0.918 0.185 0.00 0.00 +0.103 C ATOM 25 C LIG 1 8.453 -0.235 0.407 0.00 0.00 +0.123 C ENDBRANCH 17 23 ENDBRANCH 16 17 ENDBRANCH 10 16 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 N LIG 1 -4.633 0.372 0.292 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -5.003 0.248 1.228 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.272 1.451 -0.439 0.00 0.00 +0.140 C BRANCH 28 29 ATOM 29 C LIG 1 -6.713 1.543 -0.014 0.00 0.00 -0.024 A ATOM 30 C LIG 1 -7.680 0.668 -0.501 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.571 -0.403 -1.521 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -8.918 -1.092 -1.301 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -9.831 -0.160 -0.677 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -9.002 0.760 -0.089 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -9.424 1.710 0.816 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -8.471 2.586 1.334 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -7.128 2.501 0.928 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 7