REMARK Name = BDB027326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.021 0.303 -0.662 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -0.316 -0.608 0.350 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.737 -1.344 0.902 0.00 0.00 +0.134 A ATOM 4 N LIG 1 2.038 -1.240 0.543 0.00 0.00 -0.258 NA ATOM 5 C LIG 1 2.344 -0.343 -0.420 0.00 0.00 +0.045 A ATOM 6 C LIG 1 1.369 0.437 -1.037 0.00 0.00 +0.030 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.655 -0.757 0.750 0.00 0.00 -0.327 N ATOM 8 C LIG 1 -2.292 -1.953 0.143 0.00 0.00 +0.129 C ATOM 9 C LIG 1 -3.719 -2.206 0.730 0.00 0.00 +0.064 C ATOM 10 C LIG 1 -3.561 -2.498 2.252 0.00 0.00 +0.028 C ATOM 11 C LIG 1 -2.327 -1.845 2.888 0.00 0.00 +0.021 C ATOM 12 C LIG 1 -1.904 -0.557 2.193 0.00 0.00 +0.105 C BRANCH 9 13 ATOM 13 N LIG 1 -4.559 -0.981 0.618 0.00 0.00 -0.321 NA ATOM 14 H LIG 1 -5.489 -1.148 1.001 0.00 0.00 +0.119 HD ATOM 15 H LIG 1 -4.699 -0.734 -0.364 0.00 0.00 +0.119 HD ENDBRANCH 9 13 BRANCH 9 16 ATOM 16 C LIG 1 -4.405 -3.422 0.020 0.00 0.00 +0.202 C BRANCH 16 17 ATOM 17 C LIG 1 -4.591 -3.249 -1.492 0.00 0.00 +0.371 C ATOM 18 F LIG 1 -5.361 -4.278 -1.947 0.00 0.00 -0.206 F ATOM 19 F LIG 1 -5.267 -2.111 -1.778 0.00 0.00 -0.206 F ENDBRANCH 16 17 BRANCH 16 20 ATOM 20 O LIG 1 -3.645 -4.624 0.258 0.00 0.00 -0.384 OA ATOM 21 H LIG 1 -4.163 -5.365 -0.113 0.00 0.00 +0.210 HD ENDBRANCH 16 20 ENDBRANCH 9 16 ENDBRANCH 2 7 BRANCH 5 22 ATOM 22 C LIG 1 3.803 -0.190 -0.805 0.00 0.00 +0.038 C ATOM 23 C LIG 1 4.393 -1.522 -1.296 0.00 0.00 +0.010 C ATOM 24 C LIG 1 5.870 -1.379 -1.657 0.00 0.00 +0.001 C ATOM 25 C LIG 1 6.680 -0.809 -0.496 0.00 0.00 +0.000 C ATOM 26 C LIG 1 6.099 0.510 0.003 0.00 0.00 +0.001 C ATOM 27 C LIG 1 4.622 0.374 0.367 0.00 0.00 +0.010 C ENDBRANCH 5 22 BRANCH 1 28 ATOM 28 C LIG 1 -1.015 1.177 -1.323 0.00 0.00 +0.161 C BRANCH 28 33 ATOM 29 C LIG 1 -0.484 5.788 0.056 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -1.044 4.499 0.052 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -2.097 3.939 0.749 0.00 0.00 -0.231 NA ATOM 32 C LIG 1 -2.158 2.696 0.317 0.00 0.00 +0.202 A ATOM 33 N LIG 1 -1.192 2.429 -0.617 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -0.482 3.580 -0.821 0.00 0.00 +0.166 A ATOM 35 N LIG 1 0.533 3.787 -1.678 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 0.979 5.057 -1.591 0.00 0.00 +0.225 A ATOM 37 N LIG 1 0.533 6.054 -0.795 0.00 0.00 -0.219 NA BRANCH 29 38 ATOM 38 N LIG 1 -0.942 6.813 0.874 0.00 0.00 -0.341 N ATOM 39 H LIG 1 -0.716 7.726 0.503 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -1.884 6.659 1.217 0.00 0.00 +0.144 HD ENDBRANCH 29 38 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 9