REMARK Name = BDB060810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.377 -2.510 -1.492 0.00 0.00 +0.110 C ATOM 2 C LIG 1 4.379 -1.023 -1.235 0.00 0.00 +0.223 C ATOM 3 N LIG 1 3.280 -0.515 -0.541 0.00 0.00 -0.208 N ATOM 4 C LIG 1 3.049 0.867 -0.331 0.00 0.00 +0.049 A ATOM 5 C LIG 1 1.899 1.059 0.442 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.493 2.330 0.829 0.00 0.00 +0.008 A ATOM 7 C LIG 1 2.236 3.426 0.395 0.00 0.00 +0.000 A ATOM 8 C LIG 1 3.371 3.242 -0.405 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.259 -0.265 0.736 0.00 0.00 +0.135 C ATOM 10 C LIG 1 -0.134 -0.540 0.124 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -1.087 -0.386 1.318 0.00 0.00 +0.058 C ATOM 12 C LIG 1 -0.251 -1.007 2.454 0.00 0.00 +0.168 C ATOM 13 N LIG 1 1.125 -0.476 2.199 0.00 0.00 -0.288 NA ATOM 14 H LIG 1 1.822 -1.140 2.545 0.00 0.00 +0.124 HD ATOM 15 C LIG 1 3.786 1.957 -0.770 0.00 0.00 +0.024 A ATOM 16 C LIG 1 2.292 -1.264 0.138 0.00 0.00 +0.252 C ATOM 17 O LIG 1 2.225 -2.478 0.291 0.00 0.00 -0.272 OA ATOM 18 O LIG 1 5.338 -0.353 -1.623 0.00 0.00 -0.275 OA ENDROOT BRANCH 10 19 ATOM 19 C LIG 1 -0.434 0.175 -1.154 0.00 0.00 +0.174 A ATOM 20 C LIG 1 -1.216 1.204 -1.641 0.00 0.00 +0.191 A ATOM 21 C LIG 1 -0.963 1.235 -3.036 0.00 0.00 +0.111 A ATOM 22 C LIG 1 -1.524 2.135 -4.073 0.00 0.00 +0.071 C ATOM 23 N LIG 1 -0.075 0.297 -3.378 0.00 0.00 -0.081 NA ATOM 24 O LIG 1 0.247 -0.361 -2.216 0.00 0.00 -0.357 OA BRANCH 20 25 ATOM 25 N LIG 1 -2.096 2.068 -0.936 0.00 0.00 +0.062 N ATOM 26 O LIG 1 -3.161 2.357 -1.494 0.00 0.00 -0.126 OA ATOM 27 O LIG 1 -1.718 2.489 0.161 0.00 0.00 -0.126 OA ENDBRANCH 20 25 ENDBRANCH 10 19 BRANCH 11 28 ATOM 28 C LIG 1 -2.448 -1.018 1.111 0.00 0.00 -0.042 A ATOM 29 C LIG 1 -3.601 -0.242 1.312 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -4.872 -0.786 1.121 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.011 -2.116 0.735 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.879 -2.903 0.546 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.606 -2.361 0.736 0.00 0.00 +0.004 A ENDBRANCH 11 28 BRANCH 12 34 ATOM 34 C LIG 1 -0.829 -0.703 3.854 0.00 0.00 +0.405 C ATOM 35 F LIG 1 -2.028 -1.292 4.039 0.00 0.00 -0.169 F ATOM 36 F LIG 1 -0.002 -1.176 4.818 0.00 0.00 -0.169 F ATOM 37 F LIG 1 -0.983 0.624 4.057 0.00 0.00 -0.169 F ENDBRANCH 12 34 TORSDOF 4