REMARK Name = BDB064783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.265 0.038 1.181 0.00 0.00 -0.327 N ATOM 2 C LIG 1 -2.249 1.007 1.692 0.00 0.00 +0.124 C ATOM 3 C LIG 1 -3.648 0.375 1.818 0.00 0.00 +0.127 C ATOM 4 N LIG 1 -3.661 -0.844 2.638 0.00 0.00 -0.294 N ATOM 5 C LIG 1 -4.795 -1.434 3.178 0.00 0.00 +0.249 C ATOM 6 O LIG 1 -4.791 -2.510 3.773 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.374 -1.526 2.789 0.00 0.00 +0.127 C ATOM 8 C LIG 1 -1.464 -1.378 1.556 0.00 0.00 +0.124 C ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 3.671 1.800 -0.945 0.00 0.00 +0.131 A ATOM 10 C LIG 1 2.440 1.323 -0.440 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.646 2.212 0.305 0.00 0.00 +0.076 A ATOM 12 C LIG 1 0.434 1.763 0.822 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -0.051 0.455 0.651 0.00 0.00 +0.032 A ATOM 14 C LIG 1 0.751 -0.407 -0.104 0.00 0.00 +0.024 A ATOM 15 N LIG 1 2.015 3.482 0.544 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 3.190 3.908 0.038 0.00 0.00 +0.115 A ATOM 17 C LIG 1 1.972 0.011 -0.641 0.00 0.00 +0.015 A ATOM 18 C LIG 1 4.045 3.117 -0.704 0.00 0.00 +0.066 A BRANCH 9 19 ATOM 19 O LIG 1 4.423 0.909 -1.674 0.00 0.00 -0.489 OA BRANCH 19 20 ATOM 20 C LIG 1 5.790 1.251 -1.911 0.00 0.00 +0.252 C BRANCH 20 21 ATOM 21 C LIG 1 6.477 0.070 -2.595 0.00 0.00 +0.188 C BRANCH 21 24 ATOM 22 C LIG 1 9.989 -0.111 -1.851 0.00 0.00 +0.095 A ATOM 23 N LIG 1 8.710 -0.308 -1.773 0.00 0.00 -0.168 NA ATOM 24 N LIG 1 7.914 0.277 -2.737 0.00 0.00 -0.226 N ATOM 25 C LIG 1 8.394 1.103 -3.745 0.00 0.00 +0.267 A ATOM 26 O LIG 1 7.695 1.689 -4.566 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 9.863 1.272 -3.795 0.00 0.00 +0.074 A ATOM 28 C LIG 1 10.658 0.692 -2.891 0.00 0.00 +0.035 A BRANCH 22 33 ATOM 29 C LIG 1 11.585 -2.776 2.030 0.00 0.00 +0.172 C ATOM 30 N LIG 1 11.531 -1.908 0.879 0.00 0.00 -0.274 N ATOM 31 N LIG 1 12.654 -1.320 0.436 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 12.238 -0.601 -0.608 0.00 0.00 +0.144 A ATOM 33 C LIG 1 10.845 -0.715 -0.847 0.00 0.00 +0.039 A ATOM 34 C LIG 1 10.428 -1.577 0.151 0.00 0.00 +0.118 A ENDBRANCH 22 33 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 ENDBRANCH 1 13 BRANCH 5 35 ATOM 35 C LIG 1 -6.095 -0.771 3.001 0.00 0.00 +0.072 A ATOM 36 C LIG 1 -6.415 0.358 3.747 0.00 0.00 +0.135 A ATOM 37 F LIG 1 -5.525 0.903 4.589 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -7.669 0.947 3.622 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -8.615 0.395 2.752 0.00 0.00 +0.007 A ATOM 40 C LIG 1 -8.308 -0.748 1.993 0.00 0.00 -0.041 A ATOM 41 C LIG 1 -7.042 -1.339 2.139 0.00 0.00 +0.020 A BRANCH 40 42 ATOM 42 C LIG 1 -9.346 -1.367 1.081 0.00 0.00 +0.093 C BRANCH 42 43 ATOM 43 C LIG 1 -8.855 -1.563 -0.348 0.00 0.00 +0.074 A ATOM 44 C LIG 1 -8.851 -0.422 -1.301 0.00 0.00 +0.011 A ATOM 45 C LIG 1 -8.398 -0.676 -2.595 0.00 0.00 +0.050 A ATOM 46 C LIG 1 -8.363 0.345 -3.552 0.00 0.00 +0.014 A ATOM 47 C LIG 1 -8.781 1.631 -3.210 0.00 0.00 +0.001 A ATOM 48 C LIG 1 -9.232 1.892 -1.918 0.00 0.00 +0.001 A ATOM 49 C LIG 1 -7.949 -2.032 -2.947 0.00 0.00 +0.272 A ATOM 50 O LIG 1 -7.555 -2.302 -4.076 0.00 0.00 -0.266 OA ATOM 51 N LIG 1 -8.003 -2.964 -1.940 0.00 0.00 -0.242 N ATOM 52 H LIG 1 -7.695 -3.906 -2.163 0.00 0.00 +0.192 HD ATOM 53 C LIG 1 -9.268 0.870 -0.964 0.00 0.00 +0.010 A ATOM 54 N LIG 1 -8.444 -2.754 -0.672 0.00 0.00 -0.175 NA ENDBRANCH 42 43 ENDBRANCH 40 42 ENDBRANCH 5 35 TORSDOF 9