REMARK Name = BDB013897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.415 0.675 -0.319 0.00 0.00 +0.160 C ATOM 2 C LIG 1 2.126 -0.787 -0.719 0.00 0.00 +0.240 C ATOM 3 O LIG 1 3.022 -1.468 -1.236 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.859 -1.298 -0.429 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.256 -0.482 -0.050 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -0.473 0.782 -0.640 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -1.562 1.571 -0.227 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -2.451 1.103 0.736 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.267 -0.163 1.274 0.00 0.00 +0.123 A ATOM 10 C LIG 1 0.397 1.280 -1.764 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.172 -0.945 0.906 0.00 0.00 +0.069 A ATOM 12 C LIG 1 1.788 1.671 -1.291 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.480 1.867 0.408 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.869 0.843 -0.274 0.00 0.00 -0.303 N ATOM 15 H LIG 1 4.414 0.146 -0.773 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.833 2.738 0.989 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 6.029 1.885 0.318 0.00 0.00 +0.137 C ATOM 18 C LIG 1 6.662 0.543 0.688 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 6.612 2.816 2.530 0.00 0.00 +0.101 C ATOM 20 N LIG 1 6.584 3.028 1.086 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 5.966 3.825 0.908 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.631 -2.729 -0.667 0.00 0.00 +0.148 C BRANCH 22 23 ATOM 23 C LIG 1 -0.129 -2.984 -1.951 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -1.504 -3.261 -1.929 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -2.204 -3.472 -3.118 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -1.539 -3.409 -4.340 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -0.174 -3.132 -4.376 0.00 0.00 +0.000 A ATOM 28 C LIG 1 0.528 -2.918 -3.189 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 4 22 BRANCH 9 29 ATOM 29 O LIG 1 -3.122 -0.641 2.231 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.307 -1.194 1.637 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 -5.456 -0.216 1.679 0.00 0.00 -0.010 A ATOM 32 C LIG 1 -5.844 0.373 2.890 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -6.911 1.272 2.932 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.602 1.588 1.763 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.226 1.007 0.553 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.159 0.108 0.510 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 9 29 TORSDOF 8