REMARK Name = BDB037902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.520 -0.070 0.991 0.00 0.00 +0.074 A ATOM 2 N LIG 1 0.543 -0.170 1.918 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 -0.741 -0.049 1.499 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -1.158 0.172 0.182 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.125 0.326 -0.761 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.215 0.181 -0.344 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.542 -0.477 2.527 0.00 0.00 +0.158 A ATOM 8 C LIG 1 4.519 0.079 3.298 0.00 0.00 +0.166 A ATOM 9 F LIG 1 4.772 0.505 4.545 0.00 0.00 -0.202 F ATOM 10 C LIG 1 3.221 0.209 2.803 0.00 0.00 +0.055 A ATOM 11 C LIG 1 2.896 -0.213 1.502 0.00 0.00 +0.038 A ATOM 12 C LIG 1 3.935 -0.779 0.746 0.00 0.00 +0.136 A ATOM 13 F LIG 1 3.700 -1.238 -0.494 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.238 -0.910 1.239 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 7.833 -1.108 2.364 0.00 0.00 +0.277 C ATOM 16 O LIG 1 6.770 -0.548 3.124 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -2.502 0.223 -0.193 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -3.000 -0.940 -0.956 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.623 -2.058 -0.045 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.179 -1.448 1.264 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -4.645 -0.010 1.061 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -3.475 0.899 0.680 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -4.766 -2.683 -0.774 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -4.390 -3.131 -1.617 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -5.412 -1.964 -1.100 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -2.569 -3.176 0.226 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -3.065 -4.285 1.161 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -3.210 -3.826 2.428 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -2.093 -5.244 1.221 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -2.157 -3.750 -1.041 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -1.561 -4.492 -0.815 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.412 0.654 -2.212 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 0.345 1.812 -2.691 0.00 0.00 -0.342 N ATOM 34 C LIG 1 0.099 3.129 -2.355 0.00 0.00 +0.052 A ATOM 35 C LIG 1 1.023 3.911 -3.055 0.00 0.00 +0.018 A ATOM 36 C LIG 1 0.994 5.301 -2.886 0.00 0.00 +0.120 A ATOM 37 N LIG 1 0.087 5.879 -2.060 0.00 0.00 -0.263 NA ATOM 38 C LIG 1 -0.786 5.088 -1.401 0.00 0.00 +0.113 A ATOM 39 C LIG 1 1.822 3.026 -3.829 0.00 0.00 +0.029 A ATOM 40 C LIG 1 -0.842 3.707 -1.500 0.00 0.00 +0.046 A ATOM 41 C LIG 1 1.378 1.744 -3.595 0.00 0.00 +0.087 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9