REMARK Name = BDB017374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.734 0.174 0.514 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.026 1.199 1.139 0.00 0.00 +0.063 A ATOM 3 C LIG 1 0.643 1.099 1.282 0.00 0.00 +0.146 A ATOM 4 F LIG 1 -0.023 2.100 1.880 0.00 0.00 -0.203 F ATOM 5 C LIG 1 -0.073 -0.018 0.832 0.00 0.00 +0.067 A ATOM 6 C LIG 1 0.638 -1.027 0.177 0.00 0.00 +0.028 A ATOM 7 C LIG 1 2.028 -0.934 0.027 0.00 0.00 +0.025 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 4.782 2.078 1.514 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.030 1.128 0.783 0.00 0.00 +0.248 C ATOM 10 N LIG 1 4.131 0.186 0.316 0.00 0.00 -0.281 N ATOM 11 H LIG 1 4.511 -0.621 -0.162 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 6.447 0.914 0.371 0.00 0.00 +0.040 A ATOM 13 C LIG 1 6.778 0.391 -0.884 0.00 0.00 +0.054 A ATOM 14 C LIG 1 8.119 0.221 -1.219 0.00 0.00 +0.159 A ATOM 15 F LIG 1 8.431 -0.285 -2.420 0.00 0.00 -0.202 F ATOM 16 C LIG 1 9.126 0.572 -0.326 0.00 0.00 +0.158 A ATOM 17 F LIG 1 10.412 0.401 -0.659 0.00 0.00 -0.202 F ATOM 18 C LIG 1 8.808 1.108 0.916 0.00 0.00 +0.042 A ATOM 19 C LIG 1 7.466 1.285 1.264 0.00 0.00 +0.016 A ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 5 20 ATOM 20 N LIG 1 -1.484 -0.045 0.952 0.00 0.00 -0.312 N ATOM 21 H LIG 1 -1.795 0.718 1.557 0.00 0.00 +0.152 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.318 -1.179 1.144 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -3.641 -1.221 0.644 0.00 0.00 +0.042 A ATOM 24 C LIG 1 -4.407 -2.328 1.044 0.00 0.00 +0.143 A ATOM 25 N LIG 1 -5.735 -2.431 0.660 0.00 0.00 -0.307 N ATOM 26 H LIG 1 -6.248 -3.230 0.999 0.00 0.00 +0.170 HD ATOM 27 C LIG 1 -6.395 -1.510 -0.084 0.00 0.00 +0.254 A ATOM 28 C LIG 1 -5.594 -0.351 -0.575 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -6.357 0.619 -1.442 0.00 0.00 +0.041 C ATOM 30 C LIG 1 -5.606 1.921 -1.702 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -4.150 1.633 -2.029 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -3.466 0.898 -0.872 0.00 0.00 +0.036 C ATOM 33 O LIG 1 -7.585 -1.636 -0.356 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 -3.978 -3.340 1.829 0.00 0.00 -0.237 NA ATOM 35 C LIG 1 -2.718 -3.261 2.282 0.00 0.00 +0.115 A ATOM 36 C LIG 1 -4.284 -0.222 -0.265 0.00 0.00 -0.027 A ATOM 37 C LIG 1 -1.872 -2.211 1.986 0.00 0.00 +0.043 A ENDBRANCH 20 22 ENDBRANCH 5 20 TORSDOF 4