REMARK Name = BDB015174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.076 1.419 -0.911 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.309 1.421 -0.249 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -2.412 2.133 -0.749 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -2.242 2.859 -1.937 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.010 2.877 -2.594 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.073 2.162 -2.079 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.707 2.117 -0.047 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.337 0.892 0.257 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -5.571 0.924 0.924 0.00 0.00 +0.069 A ATOM 10 C LIG 1 -6.186 2.118 1.295 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -7.376 1.883 1.934 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 -7.500 0.577 1.961 0.00 0.00 +0.200 A ATOM 13 C LIG 1 -5.563 3.336 0.997 0.00 0.00 +0.030 A ATOM 14 N LIG 1 -6.441 -0.049 1.360 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.330 3.320 0.329 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 -6.275 -1.482 1.218 0.00 0.00 +0.104 C ATOM 17 C LIG 1 -6.118 -2.208 2.559 0.00 0.00 +0.106 C ATOM 18 N LIG 1 -6.864 -3.469 2.419 0.00 0.00 -0.314 NA ATOM 19 H LIG 1 -6.285 -4.146 1.919 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -8.014 -3.118 1.581 0.00 0.00 +0.083 C ATOM 21 C LIG 1 -7.446 -2.187 0.524 0.00 0.00 +0.041 C ENDBRANCH 14 16 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 O LIG 1 0.906 0.700 -0.288 0.00 0.00 -0.489 OA BRANCH 22 23 ATOM 23 C LIG 1 2.017 0.240 -1.070 0.00 0.00 +0.261 C BRANCH 23 24 ATOM 24 C LIG 1 3.289 0.997 -0.659 0.00 0.00 +0.166 C BRANCH 24 25 ATOM 25 O LIG 1 3.153 2.381 -1.009 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 2.424 2.728 -0.463 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.521 0.395 -1.376 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 N LIG 1 5.814 0.986 -0.970 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 6.242 0.588 0.382 0.00 0.00 +0.120 C ATOM 30 C LIG 1 6.792 -0.821 0.485 0.00 0.00 -0.030 A ATOM 31 C LIG 1 7.322 -1.472 -0.645 0.00 0.00 -0.042 A ATOM 32 C LIG 1 7.858 -2.760 -0.517 0.00 0.00 +0.004 A ATOM 33 C LIG 1 7.890 -3.389 0.727 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.383 -2.740 1.851 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.256 -0.815 -2.001 0.00 0.00 +0.051 C ATOM 36 C LIG 1 6.840 -1.460 1.732 0.00 0.00 +0.005 A ATOM 37 C LIG 1 6.891 0.676 -1.924 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8