REMARK Name = BDB042150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.031 2.782 -0.134 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.808 1.831 0.533 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -2.036 2.332 1.155 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -2.640 1.343 2.168 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -2.826 -0.042 1.661 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -1.504 -0.494 1.159 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -0.852 0.425 0.108 0.00 0.00 +0.123 C ATOM 8 O LIG 1 -0.331 3.970 -0.216 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 9 N LIG 1 5.455 0.608 -1.210 0.00 0.00 -0.222 N ATOM 10 C LIG 1 4.554 0.627 -0.181 0.00 0.00 +0.255 C ATOM 11 O LIG 1 4.635 0.129 0.925 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.380 1.351 -0.661 0.00 0.00 +0.050 A ATOM 13 C LIG 1 3.613 1.693 -1.982 0.00 0.00 +0.049 A ATOM 14 C LIG 1 2.686 2.387 -2.735 0.00 0.00 +0.014 A ATOM 15 C LIG 1 1.484 2.732 -2.107 0.00 0.00 +0.014 A ATOM 16 C LIG 1 1.239 2.359 -0.764 0.00 0.00 +0.038 A ATOM 17 C LIG 1 2.204 1.674 -0.014 0.00 0.00 +0.027 A ATOM 18 C LIG 1 4.938 1.188 -2.338 0.00 0.00 +0.254 C ATOM 19 O LIG 1 5.435 1.288 -3.443 0.00 0.00 -0.270 OA BRANCH 9 26 ATOM 20 O LIG 1 9.316 -3.098 0.011 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.545 -2.211 -0.342 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.374 -2.510 -0.994 0.00 0.00 -0.255 N ATOM 23 H LIG 1 7.167 -3.494 -1.096 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.369 -1.643 -1.362 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.313 -2.071 -1.823 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.695 -0.152 -1.218 0.00 0.00 +0.171 C ATOM 27 C LIG 1 7.580 0.075 0.004 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.854 -0.745 -0.143 0.00 0.00 +0.098 C ENDBRANCH 9 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -3.902 -0.137 0.632 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -5.263 0.369 1.129 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -5.787 -0.026 2.372 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -7.031 0.438 2.787 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -7.512 0.059 3.978 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -7.781 1.291 1.988 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -7.281 1.688 0.750 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -6.032 1.228 0.322 0.00 0.00 +0.006 A ENDBRANCH 29 30 BRANCH 29 37 ATOM 37 C LIG 1 -4.071 -1.549 0.056 0.00 0.00 -0.023 A ATOM 38 C LIG 1 -4.117 -2.684 0.884 0.00 0.00 +0.043 A ATOM 39 C LIG 1 -4.289 -3.948 0.331 0.00 0.00 +0.124 A ATOM 40 F LIG 1 -4.321 -5.020 1.134 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -4.423 -4.119 -1.041 0.00 0.00 +0.038 A ATOM 42 C LIG 1 -4.388 -3.005 -1.877 0.00 0.00 +0.003 A ATOM 43 C LIG 1 -4.216 -1.729 -1.333 0.00 0.00 +0.006 A ENDBRANCH 29 37 ENDBRANCH 5 29 TORSDOF 5