REMARK Name = BDB019574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.603 1.748 -0.625 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.519 2.586 0.025 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.820 2.146 0.304 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.192 0.851 -0.087 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.295 0.007 -0.763 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.996 0.465 -1.026 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.775 3.022 0.997 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -4.686 3.845 0.295 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -4.723 3.874 -1.210 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -5.578 4.656 1.016 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.563 4.652 2.405 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -6.421 5.431 3.077 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.673 3.853 3.107 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.783 3.041 2.405 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.774 1.339 -0.962 0.00 0.00 -0.305 N ATOM 16 H LIG 1 1.596 0.400 -0.636 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 0.764 2.274 -0.893 0.00 0.00 +0.245 C ATOM 18 O LIG 1 0.948 3.480 -1.006 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.165 1.730 -1.130 0.00 0.00 +0.101 C ATOM 20 C LIG 1 3.454 2.188 -2.563 0.00 0.00 +0.033 C BRANCH 19 23 ATOM 21 C LIG 1 4.940 -1.674 -1.031 0.00 0.00 +0.124 A ATOM 22 C LIG 1 4.122 -0.616 -1.439 0.00 0.00 +0.051 A ATOM 23 C LIG 1 4.066 0.582 -0.711 0.00 0.00 -0.021 A ATOM 24 C LIG 1 4.845 0.690 0.449 0.00 0.00 +0.051 A ATOM 25 C LIG 1 5.670 -0.360 0.867 0.00 0.00 +0.124 A ATOM 26 C LIG 1 5.715 -1.542 0.124 0.00 0.00 +0.091 A BRANCH 21 28 ATOM 27 C LIG 1 5.726 -3.870 -1.508 0.00 0.00 +0.277 C ATOM 28 O LIG 1 4.883 -2.775 -1.842 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 25 29 ATOM 29 O LIG 1 6.370 -0.103 2.014 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 7.264 -1.111 2.469 0.00 0.00 +0.277 C ENDBRANCH 25 29 ENDBRANCH 19 23 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 31 ATOM 31 C LIG 1 -2.727 -1.380 -1.178 0.00 0.00 +0.139 C BRANCH 31 32 ATOM 32 N LIG 1 -2.782 -2.233 -0.008 0.00 0.00 -0.313 N ATOM 33 H LIG 1 -1.993 -2.114 0.614 0.00 0.00 +0.149 HD BRANCH 32 34 ATOM 34 C LIG 1 -3.158 -3.524 -0.137 0.00 0.00 +0.176 C ATOM 35 N LIG 1 -2.984 -4.261 0.991 0.00 0.00 -0.316 N ATOM 36 H LIG 1 -3.244 -3.766 1.835 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 -3.687 -5.512 0.783 0.00 0.00 +0.127 C ATOM 38 C LIG 1 -3.879 -5.508 -0.736 0.00 0.00 +0.163 C ATOM 39 N LIG 1 -3.675 -4.101 -1.178 0.00 0.00 -0.255 NA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9