REMARK Name = BDB024255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.622 -1.325 -0.840 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.069 -2.721 -0.587 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.257 -2.975 0.530 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.249 -4.255 0.767 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.056 -5.299 -0.104 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.871 -5.066 -1.209 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.377 -3.788 -1.448 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.010 -0.324 -2.543 0.00 0.00 -0.267 N ATOM 9 H LIG 1 0.136 -0.131 -3.530 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.228 -0.819 -2.264 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.029 -0.843 -3.211 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 3.315 0.639 -0.190 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.385 0.727 -1.579 0.00 0.00 +0.052 A ATOM 14 C LIG 1 2.268 0.396 -2.339 0.00 0.00 +0.164 A ATOM 15 F LIG 1 2.334 0.486 -3.676 0.00 0.00 -0.202 F ATOM 16 C LIG 1 1.093 -0.026 -1.715 0.00 0.00 +0.161 A ATOM 17 N LIG 1 0.996 -0.104 -0.376 0.00 0.00 -0.237 NA ATOM 18 C LIG 1 2.100 0.220 0.350 0.00 0.00 +0.121 A BRANCH 12 23 ATOM 19 C LIG 1 7.552 2.574 1.537 0.00 0.00 +0.172 C ATOM 20 N LIG 1 6.320 1.834 1.409 0.00 0.00 -0.274 N ATOM 21 N LIG 1 5.886 1.087 2.439 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 4.749 0.557 1.985 0.00 0.00 +0.143 A ATOM 23 C LIG 1 4.443 0.962 0.663 0.00 0.00 +0.021 A ATOM 24 C LIG 1 5.491 1.794 0.324 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -3.106 -1.325 -0.732 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -3.460 -0.503 -1.225 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.616 -1.345 0.640 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.314 -0.107 1.506 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -3.713 1.206 0.873 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.066 1.534 0.704 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.433 2.742 0.106 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.451 3.636 -0.330 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.100 3.316 -0.165 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.734 2.108 0.434 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -4.826 4.877 -0.942 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.127 5.885 -1.433 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9