REMARK Name = BDB014197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.923 -2.564 -0.713 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -0.881 -3.300 0.478 0.00 0.00 +0.067 A ATOM 3 C LIG 1 -2.069 -3.425 1.218 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -3.258 -2.836 0.774 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -3.290 -2.098 -0.416 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -2.113 -1.983 -1.169 0.00 0.00 +0.017 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 0.378 -3.150 -2.526 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.279 -2.410 -1.553 0.00 0.00 +0.247 C ATOM 9 N LIG 1 1.220 -1.457 -1.185 0.00 0.00 -0.295 N ATOM 10 C LIG 1 2.341 -1.236 -2.108 0.00 0.00 +0.127 C ATOM 11 C LIG 1 3.582 -0.653 -1.412 0.00 0.00 +0.125 C ATOM 12 N LIG 1 3.212 0.563 -0.645 0.00 0.00 -0.312 N ATOM 13 C LIG 1 2.185 0.261 0.376 0.00 0.00 +0.125 C ATOM 14 C LIG 1 0.925 -0.325 -0.291 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 4.340 1.204 -0.073 0.00 0.00 +0.124 A ATOM 16 N LIG 1 5.514 0.548 0.002 0.00 0.00 -0.210 NA ATOM 17 C LIG 1 6.538 1.237 0.549 0.00 0.00 +0.203 A ATOM 18 C LIG 1 6.427 2.539 1.005 0.00 0.00 +0.105 A ATOM 19 N LIG 1 7.683 2.817 1.457 0.00 0.00 -0.256 N ATOM 20 H LIG 1 8.044 3.668 1.869 0.00 0.00 +0.191 HD ATOM 21 N LIG 1 8.514 1.772 1.306 0.00 0.00 -0.066 NA ATOM 22 C LIG 1 5.238 3.247 0.932 0.00 0.00 +0.034 A ATOM 23 N LIG 1 7.816 0.789 0.743 0.00 0.00 -0.109 NA ATOM 24 C LIG 1 4.181 2.531 0.368 0.00 0.00 +0.046 A ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 2 25 ATOM 25 C LIG 1 0.401 -3.917 0.969 0.00 0.00 +0.418 C ATOM 26 F LIG 1 1.047 -4.670 0.043 0.00 0.00 -0.166 F ATOM 27 F LIG 1 1.290 -2.978 1.400 0.00 0.00 -0.166 F ATOM 28 F LIG 1 0.210 -4.743 2.040 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 C LIG 1 -4.571 -1.457 -0.900 0.00 0.00 +0.093 C BRANCH 29 30 ATOM 30 C LIG 1 -4.442 0.053 -1.071 0.00 0.00 +0.074 A ATOM 31 C LIG 1 -4.572 0.953 0.104 0.00 0.00 +0.011 A ATOM 32 C LIG 1 -4.402 2.318 -0.121 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -4.503 3.235 0.934 0.00 0.00 +0.014 A ATOM 34 C LIG 1 -4.777 2.781 2.222 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.950 1.418 2.454 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.117 2.794 -1.484 0.00 0.00 +0.272 A ATOM 37 O LIG 1 -3.950 3.985 -1.723 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 -4.048 1.829 -2.457 0.00 0.00 -0.242 N ATOM 39 H LIG 1 -3.853 2.137 -3.406 0.00 0.00 +0.192 HD ATOM 40 C LIG 1 -4.850 0.504 1.400 0.00 0.00 +0.010 A ATOM 41 N LIG 1 -4.196 0.491 -2.272 0.00 0.00 -0.175 NA ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 5