REMARK Name = BDB036268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.967 -0.156 0.144 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.065 0.749 0.768 0.00 0.00 +0.150 A ATOM 3 N LIG 1 -1.220 0.294 0.981 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -1.921 1.326 1.563 0.00 0.00 +0.120 A ATOM 5 C LIG 1 -1.021 2.364 1.691 0.00 0.00 +0.077 A ATOM 6 C LIG 1 -1.647 -1.002 0.622 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.806 -1.816 0.040 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.212 1.987 1.198 0.00 0.00 -0.230 NA ATOM 9 C LIG 1 0.478 -1.369 -0.187 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 1.711 1.787 -2.016 0.00 0.00 +0.044 C ATOM 11 C LIG 1 2.740 1.050 -1.201 0.00 0.00 -0.042 A ATOM 12 C LIG 1 2.378 0.147 -0.180 0.00 0.00 -0.010 A ATOM 13 C LIG 1 3.386 -0.493 0.560 0.00 0.00 +0.009 A ATOM 14 C LIG 1 4.734 -0.243 0.299 0.00 0.00 +0.005 A ATOM 15 C LIG 1 5.106 0.658 -0.705 0.00 0.00 -0.033 A ATOM 16 C LIG 1 4.103 1.302 -1.442 0.00 0.00 +0.009 A BRANCH 15 17 ATOM 17 C LIG 1 6.569 0.948 -0.971 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 7.343 -0.246 -1.354 0.00 0.00 -0.304 NA ATOM 19 C LIG 1 6.950 -0.736 -2.678 0.00 0.00 +0.104 C ATOM 20 C LIG 1 8.774 0.062 -1.343 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 21 ATOM 21 C LIG 1 -1.236 3.737 2.262 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -1.565 4.754 1.174 0.00 0.00 +0.030 C BRANCH 21 23 ATOM 23 N LIG 1 -0.013 4.145 2.963 0.00 0.00 -0.323 NA ATOM 24 H LIG 1 0.750 4.037 2.285 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 0.199 3.429 3.658 0.00 0.00 +0.119 HD ENDBRANCH 21 23 ENDBRANCH 5 21 BRANCH 6 26 ATOM 26 N LIG 1 -2.949 -1.369 0.893 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -3.418 -0.864 1.636 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.372 -2.753 0.793 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 -4.871 -2.820 0.856 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -5.676 -2.398 -0.198 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.305 -1.790 -1.499 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -6.656 -1.882 -2.208 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -7.706 -1.968 -1.217 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -7.062 -2.438 -0.103 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -7.709 -2.891 1.029 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -6.923 -3.326 2.096 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -5.525 -3.287 2.003 0.00 0.00 +0.129 A ATOM 38 F LIG 1 -4.804 -3.695 3.058 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 8