REMARK Name = BDB056872 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.914 4.489 2.195 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -3.114 4.025 1.534 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -3.838 4.721 1.409 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -3.676 2.797 1.704 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -2.844 1.713 1.860 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -1.595 1.583 1.080 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -1.775 0.510 0.056 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -0.988 0.155 -1.067 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -1.540 -0.868 -1.738 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -2.659 -1.176 -1.048 0.00 0.00 -0.264 N ATOM 11 C LIG 1 -2.824 -0.387 0.050 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -3.923 -0.401 1.054 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -3.468 0.440 2.269 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -4.904 2.718 1.738 0.00 0.00 -0.253 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 0.252 0.779 -1.517 0.00 0.00 +0.010 A ATOM 16 C LIG 1 1.474 0.623 -0.805 0.00 0.00 -0.008 A ATOM 17 C LIG 1 2.614 1.316 -1.274 0.00 0.00 -0.017 A ATOM 18 C LIG 1 3.834 1.198 -0.588 0.00 0.00 +0.017 A ATOM 19 C LIG 1 3.962 0.397 0.558 0.00 0.00 -0.006 A ATOM 20 C LIG 1 2.853 -0.319 1.027 0.00 0.00 +0.026 A ATOM 21 C LIG 1 2.525 2.119 -2.424 0.00 0.00 +0.008 A ATOM 22 C LIG 1 1.326 2.243 -3.123 0.00 0.00 +0.001 A ATOM 23 C LIG 1 1.629 -0.194 0.342 0.00 0.00 +0.019 A ATOM 24 C LIG 1 0.194 1.575 -2.672 0.00 0.00 +0.011 A BRANCH 19 25 ATOM 25 C LIG 1 5.252 0.332 1.214 0.00 0.00 +0.020 A ATOM 26 C LIG 1 6.401 -0.147 0.621 0.00 0.00 +0.116 A ATOM 27 N LIG 1 7.384 -0.039 1.562 0.00 0.00 -0.274 N ATOM 28 C LIG 1 8.771 -0.409 1.416 0.00 0.00 +0.172 C ATOM 29 N LIG 1 6.954 0.473 2.729 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.656 0.707 2.513 0.00 0.00 +0.142 A ENDBRANCH 19 25 BRANCH 20 31 ATOM 31 C LIG 1 2.928 -1.209 2.243 0.00 0.00 +0.372 C ATOM 32 F LIG 1 1.843 -2.029 2.377 0.00 0.00 -0.204 F ATOM 33 F LIG 1 2.977 -0.492 3.401 0.00 0.00 -0.204 F ENDBRANCH 20 31 ENDBRANCH 8 15 BRANCH 10 34 ATOM 34 C LIG 1 -3.524 -2.251 -1.514 0.00 0.00 +0.112 C ATOM 35 C LIG 1 -4.071 -1.988 -2.920 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -4.933 -3.160 -3.363 0.00 0.00 +0.162 C ATOM 37 O LIG 1 -4.200 -4.382 -3.302 0.00 0.00 -0.380 OA ATOM 38 C LIG 1 -3.755 -4.695 -1.984 0.00 0.00 +0.162 C ATOM 39 C LIG 1 -2.827 -3.614 -1.452 0.00 0.00 +0.055 C ENDBRANCH 10 34 TORSDOF 4