REMARK Name = BDB024383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.483 0.127 1.028 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.249 -0.293 -0.420 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.425 0.588 -1.500 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.217 0.158 -2.812 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.839 -1.159 -3.065 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.674 -2.050 -2.008 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.882 -1.622 -0.696 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.013 2.214 1.289 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.049 3.211 1.447 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.252 1.641 1.317 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.191 2.401 1.601 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.824 0.569 0.734 0.00 0.00 +0.049 A ATOM 13 C LIG 1 2.642 -0.177 0.836 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.386 0.314 1.023 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.242 1.637 1.112 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.337 2.484 1.056 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.618 1.945 0.871 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.232 1.143 -1.324 0.00 0.00 +0.029 C ATOM 19 C LIG 1 6.251 0.819 0.173 0.00 0.00 +0.088 C ATOM 20 N LIG 1 5.087 -0.003 0.554 0.00 0.00 -0.316 N ATOM 21 C LIG 1 5.151 -1.442 0.180 0.00 0.00 +0.201 C ATOM 22 C LIG 1 6.546 -2.068 -0.012 0.00 0.00 +0.233 C ATOM 23 O LIG 1 6.645 -3.282 -0.216 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 7.658 -1.237 0.008 0.00 0.00 -0.301 N ATOM 25 C LIG 1 8.980 -1.835 -0.034 0.00 0.00 +0.132 C ATOM 26 C LIG 1 7.543 0.092 0.584 0.00 0.00 +0.129 C ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -2.821 -0.306 1.553 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -2.940 0.185 2.440 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.953 0.033 0.678 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -5.322 -0.260 1.345 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -5.572 0.592 2.596 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -6.453 -0.084 0.336 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.780 1.177 -0.188 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.814 1.315 -1.119 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -8.534 0.193 -1.540 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -8.214 -1.067 -1.027 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.180 -1.203 -0.096 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -9.593 0.334 -2.494 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -10.452 0.450 -3.268 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9