REMARK Name = BDB011959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.312 -0.574 -0.239 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.534 -0.802 1.008 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.522 -1.877 1.613 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.418 0.231 1.323 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.853 1.319 2.096 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.418 1.892 1.792 0.00 0.00 +0.059 A ATOM 7 C LIG 1 -0.924 2.903 2.645 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.224 3.350 3.769 0.00 0.00 +0.054 A ATOM 9 C LIG 1 1.012 2.793 4.062 0.00 0.00 +0.021 A ATOM 10 N LIG 1 -1.187 1.598 0.601 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.594 1.695 0.625 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -3.277 1.614 1.645 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.539 1.794 3.237 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -0.518 0.914 -0.514 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.312 1.949 -0.647 0.00 0.00 +0.040 A ATOM 16 C LIG 1 -4.451 1.206 -0.943 0.00 0.00 +0.033 A ATOM 17 C LIG 1 -5.110 1.484 -2.127 0.00 0.00 +0.111 A ATOM 18 N LIG 1 -4.730 2.457 -2.986 0.00 0.00 -0.263 NA ATOM 19 C LIG 1 -3.642 3.183 -2.652 0.00 0.00 +0.111 A ATOM 20 C LIG 1 -2.902 2.974 -1.502 0.00 0.00 +0.033 A ENDBRANCH 11 15 BRANCH 1 22 ATOM 21 C LIG 1 -2.346 -1.661 -1.156 0.00 0.00 +0.230 C ATOM 22 N LIG 1 -1.555 -1.329 -0.082 0.00 0.00 -0.301 N ATOM 23 H LIG 1 -1.718 -1.770 0.819 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -2.092 -1.276 -2.294 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 -3.551 -2.570 -0.812 0.00 0.00 +0.137 C ATOM 26 C LIG 1 -3.084 -4.018 -0.892 0.00 0.00 +0.034 C BRANCH 25 28 ATOM 27 C LIG 1 -5.856 -3.045 -1.512 0.00 0.00 +0.101 C ATOM 28 N LIG 1 -4.666 -2.236 -1.713 0.00 0.00 -0.309 NA ATOM 29 H LIG 1 -4.335 -2.312 -2.675 0.00 0.00 +0.122 HD ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 22 BRANCH 8 30 ATOM 30 C LIG 1 -0.769 4.382 4.602 0.00 0.00 +0.099 C ATOM 31 N LIG 1 -1.192 5.225 5.277 0.00 0.00 -0.191 NA ENDBRANCH 8 30 BRANCH 4 32 ATOM 32 C LIG 1 2.805 -0.200 1.526 0.00 0.00 +0.150 C BRANCH 32 33 ATOM 33 C LIG 1 3.491 -0.464 0.186 0.00 0.00 -0.016 A ATOM 34 C LIG 1 3.686 -1.794 -0.309 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.279 -1.930 -1.586 0.00 0.00 +0.071 A ATOM 36 C LIG 1 4.492 -3.196 -2.117 0.00 0.00 +0.028 A ATOM 37 C LIG 1 4.134 -4.357 -1.433 0.00 0.00 +0.002 A ATOM 38 C LIG 1 3.543 -4.251 -0.186 0.00 0.00 +0.001 A ATOM 39 N LIG 1 4.646 -0.886 -2.333 0.00 0.00 -0.255 NA ATOM 40 C LIG 1 4.452 0.352 -1.837 0.00 0.00 +0.115 A ATOM 41 C LIG 1 3.325 -2.987 0.372 0.00 0.00 +0.010 A ATOM 42 C LIG 1 3.902 0.652 -0.593 0.00 0.00 -0.021 A BRANCH 42 43 ATOM 43 C LIG 1 3.732 2.100 -0.165 0.00 0.00 +0.021 C ATOM 44 C LIG 1 4.820 3.120 -0.435 0.00 0.00 +0.009 C ATOM 45 C LIG 1 4.564 2.664 0.966 0.00 0.00 +0.009 C ENDBRANCH 42 43 ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 8