REMARK Name = BDB037897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.731 -0.793 0.210 0.00 0.00 +0.074 A ATOM 2 N LIG 1 2.028 -1.457 1.151 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.686 -1.263 1.190 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.053 -0.431 0.338 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.695 0.247 -0.642 0.00 0.00 -0.003 A ATOM 6 C LIG 1 2.092 0.046 -0.700 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.986 -1.566 0.233 0.00 0.00 +0.158 A ATOM 8 C LIG 1 6.065 -2.542 0.619 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.491 -3.754 1.005 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.692 -2.291 0.613 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.184 -1.044 0.211 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.127 -0.073 -0.165 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.727 1.155 -0.533 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.505 -0.320 -0.160 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 9.266 -0.958 -0.094 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.303 -1.933 0.280 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.452 -0.279 0.439 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.177 -1.149 -0.524 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.740 -0.951 -0.447 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.090 0.249 0.459 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.431 0.186 1.834 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.001 -0.355 1.801 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -4.290 -0.634 -1.794 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.822 0.218 -2.142 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -4.003 -1.373 -2.439 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.385 -2.290 0.029 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.902 -2.222 0.232 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.350 -3.500 0.425 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.198 -1.560 1.379 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.055 -3.339 -0.917 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.635 -4.095 -0.697 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.082 1.182 -1.668 0.00 0.00 +0.163 C BRANCH 32 33 ATOM 33 N LIG 1 -0.674 2.308 -1.128 0.00 0.00 -0.295 N ATOM 34 C LIG 1 -1.974 2.519 -1.598 0.00 0.00 +0.350 A ATOM 35 O LIG 1 -2.487 1.775 -2.434 0.00 0.00 -0.244 OA ATOM 36 N LIG 1 -2.677 3.597 -1.110 0.00 0.00 -0.178 NA ATOM 37 C LIG 1 -2.129 4.384 -0.239 0.00 0.00 +0.123 A ATOM 38 C LIG 1 -0.754 4.209 0.264 0.00 0.00 +0.061 A ATOM 39 C LIG 1 -0.089 3.164 -0.223 0.00 0.00 +0.094 A BRANCH 37 40 ATOM 40 N LIG 1 -2.885 5.432 0.209 0.00 0.00 -0.343 N ATOM 41 H LIG 1 -3.712 5.570 -0.366 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -2.396 6.295 0.408 0.00 0.00 +0.144 HD ENDBRANCH 37 40 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10