REMARK Name = BDB021613 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.711 -2.007 2.424 0.00 0.00 +0.057 C ATOM 2 C LIG 1 0.095 -1.866 1.024 0.00 0.00 +0.121 C ATOM 3 O LIG 1 -1.089 -1.068 1.224 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 -1.605 -0.469 0.114 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.966 0.567 -0.575 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.625 1.192 -1.648 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.907 0.789 -2.025 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -3.544 -0.223 -1.306 0.00 0.00 +0.040 A ATOM 9 C LIG 1 0.386 1.072 -0.217 0.00 0.00 +0.250 C ATOM 10 O LIG 1 0.610 2.269 -0.388 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 1.356 0.161 0.213 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -2.899 -0.856 -0.242 0.00 0.00 +0.059 A ATOM 13 C LIG 1 1.131 -1.273 0.039 0.00 0.00 +0.155 C ATOM 14 C LIG 1 -0.331 -3.264 0.544 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -4.899 -0.671 -1.681 0.00 0.00 +0.247 C ATOM 16 N LIG 1 -5.959 0.204 -1.485 0.00 0.00 -0.295 N ATOM 17 C LIG 1 -7.310 -0.214 -1.862 0.00 0.00 +0.127 C ATOM 18 C LIG 1 -8.303 -0.079 -0.689 0.00 0.00 +0.074 C ATOM 19 N LIG 1 -8.215 1.177 0.104 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 -7.941 0.810 1.498 0.00 0.00 +0.085 C ATOM 21 C LIG 1 -8.556 -0.567 1.640 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -7.224 2.117 -0.442 0.00 0.00 +0.103 C ATOM 23 C LIG 1 -8.176 -1.218 0.326 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -5.855 1.490 -0.784 0.00 0.00 +0.123 C ATOM 25 O LIG 1 -5.011 -1.806 -2.133 0.00 0.00 -0.270 OA ENDBRANCH 8 15 BRANCH 11 26 ATOM 26 C LIG 1 2.741 0.649 0.339 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 3.520 0.117 1.559 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 2.945 0.668 2.753 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 3.375 0.231 3.508 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 5.022 0.505 1.498 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 5.906 -0.607 1.091 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 7.324 -0.298 1.372 0.00 0.00 +0.120 C ATOM 33 C LIG 1 7.982 0.641 0.384 0.00 0.00 -0.030 A ATOM 34 C LIG 1 7.484 0.775 -0.924 0.00 0.00 -0.042 A ATOM 35 C LIG 1 8.135 1.621 -1.833 0.00 0.00 +0.004 A ATOM 36 C LIG 1 9.284 2.312 -1.453 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.791 2.167 -0.164 0.00 0.00 +0.000 A ATOM 38 C LIG 1 6.218 0.065 -1.332 0.00 0.00 +0.051 C ATOM 39 C LIG 1 9.146 1.333 0.750 0.00 0.00 +0.005 A ATOM 40 C LIG 1 5.781 -1.006 -0.320 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 11 26 TORSDOF 6