REMARK Name = BDB056794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.574 -0.187 -0.282 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.896 -0.600 0.106 0.00 0.00 +0.043 C ATOM 3 C LIG 1 1.476 0.032 1.380 0.00 0.00 +0.116 C ATOM 4 N LIG 1 2.926 -0.190 1.472 0.00 0.00 -0.285 N ATOM 5 C LIG 1 3.721 0.879 1.861 0.00 0.00 +0.302 C ATOM 6 N LIG 1 5.073 0.646 1.815 0.00 0.00 -0.298 N ATOM 7 H LIG 1 5.344 -0.279 2.105 0.00 0.00 +0.150 HD ATOM 8 O LIG 1 3.264 1.968 2.198 0.00 0.00 -0.253 OA ATOM 9 C LIG 1 3.430 -1.464 0.950 0.00 0.00 +0.109 C ATOM 10 C LIG 1 2.358 -2.546 0.928 0.00 0.00 +0.019 C ATOM 11 C LIG 1 1.108 -2.130 0.148 0.00 0.00 +0.010 C BRANCH 6 12 ATOM 12 C LIG 1 5.993 1.701 2.220 0.00 0.00 +0.120 C BRANCH 12 13 ATOM 13 C LIG 1 7.437 1.367 1.825 0.00 0.00 +0.096 C BRANCH 13 14 ATOM 14 N LIG 1 7.570 1.108 0.387 0.00 0.00 -0.329 NA ATOM 15 H LIG 1 7.399 1.980 -0.118 0.00 0.00 +0.118 HD ATOM 16 H LIG 1 6.793 0.504 0.105 0.00 0.00 +0.118 HD ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 18 ATOM 17 C LIG 1 -2.569 -1.667 0.628 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -1.628 -0.606 0.775 0.00 0.00 -0.005 A ATOM 19 C LIG 1 -1.667 0.130 1.991 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.555 -0.168 3.027 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -3.447 -1.213 2.882 0.00 0.00 +0.039 A ATOM 22 C LIG 1 -3.451 -1.942 1.700 0.00 0.00 +0.131 A ATOM 23 F LIG 1 -4.346 -2.939 1.593 0.00 0.00 -0.205 F BRANCH 17 26 ATOM 24 C LIG 1 -3.727 -2.862 -2.785 0.00 0.00 -0.047 A ATOM 25 C LIG 1 -3.529 -2.064 -1.647 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -2.731 -2.502 -0.576 0.00 0.00 -0.015 A ATOM 27 C LIG 1 -2.159 -3.781 -0.652 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -2.355 -4.586 -1.776 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.135 -4.129 -2.837 0.00 0.00 +0.003 A BRANCH 24 31 ATOM 30 C LIG 1 -6.056 -2.714 -3.700 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.590 -2.372 -3.918 0.00 0.00 +0.032 C ENDBRANCH 24 31 ENDBRANCH 17 26 ENDBRANCH 1 18 BRANCH 1 32 ATOM 32 O LIG 1 -0.826 -0.819 -1.544 0.00 0.00 -0.384 OA ATOM 33 H LIG 1 -0.144 -0.539 -2.177 0.00 0.00 +0.211 HD ENDBRANCH 1 32 BRANCH 1 34 ATOM 34 C LIG 1 -0.648 1.339 -0.595 0.00 0.00 +0.041 C BRANCH 34 35 ATOM 35 C LIG 1 -2.017 1.808 -1.127 0.00 0.00 +0.022 C BRANCH 35 36 ATOM 36 C LIG 1 -2.000 3.256 -1.619 0.00 0.00 +0.107 C BRANCH 36 37 ATOM 37 N LIG 1 -1.696 4.197 -0.566 0.00 0.00 -0.281 N ATOM 38 H LIG 1 -2.393 4.438 0.124 0.00 0.00 +0.152 HD ATOM 39 C LIG 1 -0.442 4.680 -0.343 0.00 0.00 +0.400 C ATOM 40 O LIG 1 0.539 4.447 -1.032 0.00 0.00 -0.226 OA BRANCH 39 41 ATOM 41 O LIG 1 -0.455 5.437 0.780 0.00 0.00 -0.454 OA ATOM 42 C LIG 1 0.830 5.943 1.145 0.00 0.00 +0.282 C ENDBRANCH 39 41 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 13