REMARK Name = BDB047154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.164 1.206 -0.297 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.021 -0.057 0.314 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.293 -0.469 0.719 0.00 0.00 +0.033 A ATOM 4 C LIG 1 2.415 0.355 0.522 0.00 0.00 -0.016 A ATOM 5 C LIG 1 2.223 1.601 -0.097 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.953 2.021 -0.503 0.00 0.00 +0.025 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.760 -0.079 0.945 0.00 0.00 -0.017 A ATOM 8 C LIG 1 4.270 -1.329 0.542 0.00 0.00 +0.018 A ATOM 9 C LIG 1 5.558 -1.738 0.943 0.00 0.00 +0.000 A ATOM 10 C LIG 1 6.313 -0.886 1.746 0.00 0.00 +0.046 A ATOM 11 N LIG 1 7.511 -1.517 1.993 0.00 0.00 -0.361 N ATOM 12 H LIG 1 8.257 -1.131 2.555 0.00 0.00 +0.165 HD ATOM 13 C LIG 1 7.540 -2.737 1.371 0.00 0.00 +0.083 A ATOM 14 C LIG 1 5.843 0.360 2.170 0.00 0.00 +0.027 A ATOM 15 C LIG 1 6.343 -2.902 0.713 0.00 0.00 +0.027 A ATOM 16 C LIG 1 4.561 0.742 1.755 0.00 0.00 +0.010 A ENDBRANCH 4 7 BRANCH 1 21 ATOM 17 C LIG 1 -2.966 5.011 -2.575 0.00 0.00 +0.105 C ATOM 18 N LIG 1 -3.059 3.586 -2.273 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 -1.892 2.860 -2.825 0.00 0.00 +0.103 C ATOM 20 C LIG 1 -1.663 1.477 -2.175 0.00 0.00 +0.120 C ATOM 21 N LIG 1 -1.471 1.574 -0.703 0.00 0.00 -0.326 N ATOM 22 C LIG 1 -1.946 2.844 -0.105 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -3.223 3.335 -0.824 0.00 0.00 +0.103 C ENDBRANCH 1 21 BRANCH 2 24 ATOM 24 N LIG 1 -1.150 -0.829 0.469 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -1.967 -0.342 0.104 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -1.282 -2.075 1.022 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -0.415 -2.773 1.530 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.693 -2.552 1.001 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -3.386 -2.979 -0.209 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -4.664 -3.399 -0.120 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -5.362 -3.429 1.190 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -6.526 -3.796 1.278 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -4.619 -3.025 2.271 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -5.088 -3.063 3.169 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -3.316 -2.602 2.190 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 -2.642 -2.971 -1.508 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -2.375 -1.707 -1.922 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -3.353 -3.553 -2.510 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -1.463 -3.634 -1.440 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 5