REMARK Name = BDB033627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.251 1.748 -0.003 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.680 2.024 -1.254 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.569 1.301 -1.661 0.00 0.00 -0.038 A ATOM 4 C LIG 1 2.792 1.447 -2.935 0.00 0.00 +0.040 C ATOM 5 C LIG 1 1.997 0.131 -2.964 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.791 -0.273 -1.496 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.474 0.211 -0.943 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.064 1.361 -0.893 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.188 -0.896 -0.527 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.519 -2.010 -0.807 0.00 0.00 +0.411 C ATOM 11 O LIG 1 0.165 -3.159 -0.598 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.727 -1.689 -1.353 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 3.000 0.324 -0.837 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.548 0.042 0.403 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.678 0.760 0.816 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 9.046 3.385 2.649 0.00 0.00 +0.129 C ATOM 17 N LIG 1 8.129 3.351 1.536 0.00 0.00 -0.302 N ATOM 18 H LIG 1 7.809 4.247 1.200 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 7.184 2.341 1.472 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.375 2.511 0.369 0.00 0.00 -0.269 N ATOM 21 H LIG 1 6.722 3.166 -0.315 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 7.127 1.440 2.297 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.553 -0.893 -0.053 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.497 -0.906 -1.262 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.849 -0.711 -1.021 0.00 0.00 -0.290 N ATOM 26 C LIG 1 -4.466 -0.280 0.237 0.00 0.00 +0.107 C ATOM 27 C LIG 1 -5.934 -0.010 -0.127 0.00 0.00 +0.029 C ATOM 28 C LIG 1 -5.862 0.386 -1.594 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -4.760 -0.516 -2.152 0.00 0.00 +0.074 C ATOM 30 C LIG 1 -5.297 -1.847 -2.672 0.00 0.00 +0.028 C ATOM 31 O LIG 1 -2.069 -1.090 -2.405 0.00 0.00 -0.274 OA BRANCH 26 32 ATOM 32 C LIG 1 -4.369 -1.279 1.371 0.00 0.00 -0.021 A ATOM 33 C LIG 1 -4.162 -0.822 2.684 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -4.096 -1.726 3.744 0.00 0.00 +0.162 A ATOM 35 F LIG 1 -3.896 -1.260 4.984 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -4.237 -3.088 3.525 0.00 0.00 +0.193 A ATOM 37 F LIG 1 -4.176 -3.948 4.551 0.00 0.00 -0.199 F ATOM 38 C LIG 1 -4.449 -3.550 2.235 0.00 0.00 +0.162 A ATOM 39 F LIG 1 -4.597 -4.862 2.005 0.00 0.00 -0.202 F ATOM 40 C LIG 1 -4.517 -2.661 1.162 0.00 0.00 +0.047 A ENDBRANCH 26 32 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4