REMARK Name = BDB023976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.209 0.690 0.804 0.00 0.00 +0.090 A ATOM 2 N LIG 1 1.870 0.620 0.495 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 1.261 1.490 1.279 0.00 0.00 +0.148 A ATOM 4 N LIG 1 2.187 2.154 2.078 0.00 0.00 -0.305 N ATOM 5 C LIG 1 1.858 3.154 2.986 0.00 0.00 +0.093 A ATOM 6 C LIG 1 0.574 3.518 3.111 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -0.425 2.845 2.298 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -0.130 1.853 1.416 0.00 0.00 +0.045 A ATOM 9 C LIG 1 3.424 1.635 1.782 0.00 0.00 +0.121 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.195 1.230 0.653 0.00 0.00 +0.101 A ATOM 11 C LIG 1 -1.326 -0.154 0.348 0.00 0.00 +0.019 A ATOM 12 C LIG 1 -0.473 -1.331 0.689 0.00 0.00 +0.146 C ATOM 13 N LIG 1 -1.223 -2.578 0.430 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -2.008 -2.623 -0.822 0.00 0.00 +0.114 C ATOM 15 C LIG 1 -3.079 -1.515 -0.888 0.00 0.00 +0.074 C ATOM 16 C LIG 1 -0.845 -3.699 1.154 0.00 0.00 +0.213 C ATOM 17 O LIG 1 0.002 -3.664 2.047 0.00 0.00 -0.276 OA ATOM 18 C LIG 1 -1.533 -4.999 0.824 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -2.501 -0.250 -0.371 0.00 0.00 +0.046 A ATOM 20 N LIG 1 -3.016 1.006 -0.452 0.00 0.00 -0.264 N ATOM 21 N LIG 1 -2.249 1.921 0.174 0.00 0.00 -0.170 NA BRANCH 20 22 ATOM 22 C LIG 1 -4.248 1.428 -1.105 0.00 0.00 +0.112 C ATOM 23 C LIG 1 -5.144 2.263 -0.189 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -6.446 2.617 -0.900 0.00 0.00 +0.162 C ATOM 25 O LIG 1 -6.325 2.610 -2.325 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -5.079 3.139 -2.768 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -3.958 2.170 -2.418 0.00 0.00 +0.055 C ENDBRANCH 20 22 ENDBRANCH 8 10 BRANCH 1 32 ATOM 28 C LIG 1 6.111 -1.769 -1.169 0.00 0.00 +0.155 A ATOM 29 C LIG 1 4.777 -1.732 -1.585 0.00 0.00 +0.165 A ATOM 30 F LIG 1 4.377 -2.477 -2.627 0.00 0.00 -0.202 F ATOM 31 C LIG 1 3.836 -0.932 -0.941 0.00 0.00 +0.052 A ATOM 32 C LIG 1 4.211 -0.137 0.148 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.548 -0.171 0.569 0.00 0.00 +0.014 A ATOM 34 C LIG 1 6.491 -0.981 -0.083 0.00 0.00 +0.049 A BRANCH 28 36 ATOM 35 C LIG 1 8.291 -2.679 -1.465 0.00 0.00 +0.277 C ATOM 36 O LIG 1 6.936 -2.594 -1.884 0.00 0.00 -0.492 OA ENDBRANCH 28 36 ENDBRANCH 1 32 TORSDOF 4