REMARK Name = BDB038523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.995 0.155 0.846 0.00 0.00 -0.248 N ATOM 2 C LIG 1 -0.093 1.009 0.667 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.166 2.210 0.486 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.298 0.170 0.747 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.623 0.545 0.633 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.604 -0.452 0.751 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.212 -1.793 0.977 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.857 -2.160 1.089 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.909 -1.147 0.969 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.582 -1.221 1.035 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.904 2.261 0.513 0.00 0.00 +0.121 A ATOM 12 N LIG 1 2.626 1.857 0.592 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 2.348 0.559 0.818 0.00 0.00 +0.131 A ATOM 14 C LIG 1 3.369 -0.365 1.020 0.00 0.00 +0.054 A ATOM 15 C LIG 1 4.697 0.064 0.984 0.00 0.00 +0.007 A ATOM 16 C LIG 1 4.967 1.401 0.721 0.00 0.00 +0.053 A BRANCH 15 17 ATOM 17 C LIG 1 5.788 -0.877 1.218 0.00 0.00 +0.079 A ATOM 18 N LIG 1 6.089 -1.403 2.455 0.00 0.00 -0.266 N ATOM 19 C LIG 1 5.441 -1.110 3.714 0.00 0.00 +0.173 C ATOM 20 N LIG 1 7.115 -2.277 2.437 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 7.515 -2.265 1.165 0.00 0.00 +0.146 A ATOM 22 C LIG 1 6.738 -1.412 0.361 0.00 0.00 +0.064 A BRANCH 22 23 ATOM 23 C LIG 1 6.865 -1.104 -1.163 0.00 0.00 +0.167 A ATOM 24 N LIG 1 7.778 -1.593 -2.062 0.00 0.00 -0.316 N ATOM 25 C LIG 1 8.851 -2.520 -1.834 0.00 0.00 +0.152 C ATOM 26 C LIG 1 7.481 -1.020 -3.262 0.00 0.00 +0.225 A ATOM 27 N LIG 1 6.450 -0.224 -3.126 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 6.061 -0.279 -1.809 0.00 0.00 -0.129 NA ENDBRANCH 22 23 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 N LIG 1 4.088 3.618 0.230 0.00 0.00 -0.329 N ATOM 30 H LIG 1 3.122 3.953 0.161 0.00 0.00 +0.147 HD BRANCH 29 32 ATOM 31 C LIG 1 6.132 4.532 -0.742 0.00 0.00 +0.024 C ATOM 32 C LIG 1 4.798 3.863 -1.026 0.00 0.00 +0.099 C ENDBRANCH 29 32 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 -1.439 -3.586 1.322 0.00 0.00 +0.418 C ATOM 34 F LIG 1 -0.681 -4.074 0.302 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -0.677 -3.721 2.444 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -2.480 -4.449 1.468 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 6 37 ATOM 37 C LIG 1 -5.072 -0.087 0.628 0.00 0.00 +0.119 C BRANCH 37 38 ATOM 38 N LIG 1 -5.429 0.347 -0.714 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 -5.389 -0.679 -1.737 0.00 0.00 +0.105 C BRANCH 38 40 ATOM 40 C LIG 1 -6.506 1.340 -0.821 0.00 0.00 +0.119 C BRANCH 40 41 ATOM 41 C LIG 1 -7.998 0.997 -0.537 0.00 0.00 +0.082 C ATOM 42 C LIG 1 -8.614 -0.230 -1.282 0.00 0.00 +0.036 C ATOM 43 C LIG 1 -8.524 -1.045 0.017 0.00 0.00 +0.006 C ATOM 44 C LIG 1 -8.338 0.262 0.802 0.00 0.00 +0.036 C BRANCH 41 45 ATOM 45 O LIG 1 -8.717 2.249 -0.786 0.00 0.00 -0.375 OA ATOM 46 C LIG 1 -10.034 2.437 -0.295 0.00 0.00 +0.194 C ENDBRANCH 41 45 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 11