REMARK Name = BDB021198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.090 -0.032 0.235 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -0.411 0.866 1.109 0.00 0.00 +0.151 A ATOM 3 N LIG 1 0.947 1.030 0.911 0.00 0.00 -0.270 N ATOM 4 C LIG 1 1.395 1.900 1.880 0.00 0.00 +0.134 A ATOM 5 C LIG 1 0.274 2.238 2.604 0.00 0.00 +0.159 A ATOM 6 C LIG 1 1.656 0.380 -0.119 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.017 -0.429 -0.918 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.841 1.602 2.118 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.335 -0.614 -0.722 0.00 0.00 +0.126 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -5.307 -0.846 0.449 0.00 0.00 +0.075 A ATOM 11 C LIG 1 -4.832 0.461 0.526 0.00 0.00 +0.136 A ATOM 12 F LIG 1 -5.674 1.493 0.674 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.464 0.725 0.449 0.00 0.00 +0.050 A ATOM 14 C LIG 1 -2.543 -0.325 0.303 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -3.041 -1.638 0.266 0.00 0.00 +0.132 A ATOM 16 F LIG 1 -2.200 -2.678 0.165 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -4.405 -1.906 0.341 0.00 0.00 +0.055 A BRANCH 10 20 ATOM 18 C LIG 1 -9.074 -0.753 -0.056 0.00 0.00 +0.132 C ATOM 19 N LIG 1 -7.655 -0.563 -0.302 0.00 0.00 -0.304 N ATOM 20 C LIG 1 -6.744 -1.151 0.570 0.00 0.00 +0.249 C ATOM 21 O LIG 1 -7.062 -1.951 1.449 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 -7.310 0.192 -1.498 0.00 0.00 +0.132 C ENDBRANCH 10 20 ENDBRANCH 1 14 BRANCH 5 23 ATOM 23 C LIG 1 0.205 3.127 3.724 0.00 0.00 +0.121 C ATOM 24 N LIG 1 0.190 3.861 4.624 0.00 0.00 -0.189 NA ENDBRANCH 5 23 BRANCH 6 25 ATOM 25 N LIG 1 3.007 0.621 -0.247 0.00 0.00 -0.310 N ATOM 26 H LIG 1 3.362 1.492 0.131 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 3.739 0.173 -1.419 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 5.211 0.339 -1.181 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.926 -0.502 -0.332 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.459 -1.632 0.508 0.00 0.00 +0.080 C ATOM 31 C LIG 1 6.813 -2.227 0.895 0.00 0.00 +0.234 C ATOM 32 O LIG 1 7.830 -1.206 0.771 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 7.281 -0.305 -0.103 0.00 0.00 +0.124 A ATOM 34 C LIG 1 7.986 0.725 -0.693 0.00 0.00 +0.049 A ATOM 35 C LIG 1 7.293 1.578 -1.552 0.00 0.00 +0.042 A ATOM 36 C LIG 1 5.925 1.382 -1.786 0.00 0.00 +0.129 A ATOM 37 F LIG 1 5.288 2.236 -2.599 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6