REMARK Name = BDB014920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.362 4.826 1.495 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -4.604 3.658 1.115 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -4.003 3.290 1.837 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -5.218 2.674 0.376 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -4.404 1.587 0.079 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.943 1.761 -0.057 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -2.261 0.450 -0.233 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.883 0.120 -0.278 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -0.726 -1.191 -0.469 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -1.969 -1.705 -0.549 0.00 0.00 -0.261 N ATOM 11 C LIG 1 -2.927 -0.745 -0.415 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.406 -0.875 -0.431 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -5.021 0.509 -0.721 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -6.390 2.759 0.020 0.00 0.00 -0.253 OA ENDROOT BRANCH 10 15 ATOM 15 C LIG 1 -2.094 -3.125 -0.782 0.00 0.00 +0.135 C ATOM 16 C LIG 1 -2.704 -3.492 -2.128 0.00 0.00 +0.186 C ATOM 17 O LIG 1 -3.554 -4.635 -1.918 0.00 0.00 -0.378 OA ATOM 18 C LIG 1 -3.333 -5.109 -0.585 0.00 0.00 +0.162 C ATOM 19 C LIG 1 -2.933 -3.895 0.220 0.00 0.00 +0.057 C ENDBRANCH 10 15 BRANCH 8 20 ATOM 20 N LIG 1 0.089 1.054 -0.147 0.00 0.00 -0.296 N ATOM 21 H LIG 1 -0.187 2.026 -0.041 0.00 0.00 +0.154 HD BRANCH 20 22 ATOM 22 C LIG 1 1.500 0.951 -0.143 0.00 0.00 +0.069 A ATOM 23 C LIG 1 2.252 2.128 -0.021 0.00 0.00 +0.145 A ATOM 24 F LIG 1 1.610 3.303 0.089 0.00 0.00 -0.204 F ATOM 25 C LIG 1 3.643 2.124 -0.007 0.00 0.00 +0.049 A ATOM 26 C LIG 1 4.339 0.914 -0.112 0.00 0.00 -0.004 A ATOM 27 C LIG 1 3.620 -0.289 -0.252 0.00 0.00 +0.027 A ATOM 28 C LIG 1 2.206 -0.250 -0.255 0.00 0.00 +0.036 A BRANCH 26 29 ATOM 29 C LIG 1 5.786 0.958 -0.087 0.00 0.00 +0.020 A ATOM 30 C LIG 1 6.575 0.344 0.862 0.00 0.00 +0.116 A ATOM 31 N LIG 1 7.864 0.655 0.542 0.00 0.00 -0.274 N ATOM 32 C LIG 1 9.057 0.240 1.239 0.00 0.00 +0.172 C ATOM 33 N LIG 1 7.970 1.442 -0.545 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 6.703 1.638 -0.917 0.00 0.00 +0.142 A ENDBRANCH 26 29 BRANCH 27 35 ATOM 35 C LIG 1 4.310 -1.625 -0.386 0.00 0.00 +0.372 C ATOM 36 F LIG 1 3.500 -2.605 -0.885 0.00 0.00 -0.204 F ATOM 37 F LIG 1 4.758 -2.104 0.809 0.00 0.00 -0.204 F ENDBRANCH 27 35 ENDBRANCH 20 22 ENDBRANCH 8 20 TORSDOF 5