REMARK Name = BDB011835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.773 2.088 0.563 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.699 2.296 0.293 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.032 3.194 -0.494 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.629 1.474 0.922 0.00 0.00 -0.262 N ATOM 5 C LIG 1 1.360 0.450 1.929 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.152 -0.290 2.120 0.00 0.00 +0.059 A ATOM 7 C LIG 1 0.135 -1.300 3.124 0.00 0.00 +0.044 A ATOM 8 C LIG 1 1.212 -1.558 3.970 0.00 0.00 +0.054 A ATOM 9 C LIG 1 2.361 -0.808 3.829 0.00 0.00 +0.021 A ATOM 10 N LIG 1 -1.049 -0.203 1.315 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.308 -0.556 1.855 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -2.584 -0.570 3.052 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.425 0.166 2.829 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -1.046 0.652 0.141 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.363 -1.002 0.909 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -4.662 -0.507 1.044 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -5.665 -0.949 0.179 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -5.383 -1.905 -0.809 0.00 0.00 +0.017 A ATOM 19 C LIG 1 -4.081 -2.408 -0.930 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -3.073 -1.960 -0.071 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 -6.492 -2.347 -1.706 0.00 0.00 +0.160 C ATOM 22 O LIG 1 -7.549 -1.720 -1.725 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 -6.282 -3.549 -2.589 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -2.848 3.324 0.034 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.526 3.066 -0.230 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -0.960 3.744 -0.733 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -3.487 2.621 0.819 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -3.515 4.486 -0.753 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -2.561 5.558 -1.280 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -4.164 5.827 1.215 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -4.618 5.069 0.053 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -5.179 4.281 0.394 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 1.139 -2.599 4.953 0.00 0.00 +0.099 C ATOM 34 N LIG 1 1.103 -3.455 5.737 0.00 0.00 -0.191 NA ENDBRANCH 8 33 BRANCH 4 35 ATOM 35 C LIG 1 3.025 1.666 0.454 0.00 0.00 +0.171 C BRANCH 35 36 ATOM 36 C LIG 1 3.484 0.463 -0.320 0.00 0.00 +0.089 A ATOM 37 C LIG 1 3.152 0.114 -1.653 0.00 0.00 +0.025 A ATOM 38 C LIG 1 3.773 -1.117 -1.872 0.00 0.00 +0.075 A ATOM 39 C LIG 1 3.541 -1.852 -3.050 0.00 0.00 +0.028 A ATOM 40 C LIG 1 2.747 -1.272 -4.045 0.00 0.00 +0.002 A ATOM 41 C LIG 1 2.179 -0.015 -3.867 0.00 0.00 +0.001 A ATOM 42 N LIG 1 4.509 -1.373 -0.721 0.00 0.00 -0.231 N ATOM 43 C LIG 1 2.366 0.687 -2.672 0.00 0.00 +0.012 A ATOM 44 N LIG 1 4.259 -0.463 0.258 0.00 0.00 -0.169 NA BRANCH 42 45 ATOM 45 C LIG 1 5.383 -2.457 -0.435 0.00 0.00 +0.083 A ATOM 46 C LIG 1 6.321 -2.950 -1.356 0.00 0.00 +0.077 A ATOM 47 C LIG 1 7.113 -4.055 -0.998 0.00 0.00 +0.021 A ATOM 48 C LIG 1 6.998 -4.640 0.264 0.00 0.00 +0.001 A ATOM 49 C LIG 1 6.107 -4.116 1.193 0.00 0.00 +0.002 A ATOM 50 C LIG 1 5.311 -3.022 0.853 0.00 0.00 +0.029 A BRANCH 46 51 ATOM 51 C LIG 1 6.622 -2.312 -2.606 0.00 0.00 +0.101 C ATOM 52 N LIG 1 6.895 -1.815 -3.620 0.00 0.00 -0.191 NA ENDBRANCH 46 51 ENDBRANCH 42 45 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 10