REMARK Name = BDB011493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.806 -2.062 1.684 0.00 0.00 +0.170 C ATOM 2 C LIG 1 -3.050 -1.202 1.986 0.00 0.00 +0.241 C ATOM 3 O LIG 1 -4.118 -1.753 2.273 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.916 0.191 1.916 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.641 0.819 1.702 0.00 0.00 +0.052 A ATOM 6 C LIG 1 -0.815 0.486 0.597 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.464 1.085 0.455 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.886 2.028 1.390 0.00 0.00 +0.024 A ATOM 9 C LIG 1 0.063 2.378 2.458 0.00 0.00 +0.004 A ATOM 10 S LIG 1 -1.405 -0.589 -0.731 0.00 0.00 -0.119 S ATOM 11 C LIG 1 -1.186 1.780 2.615 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -1.659 -2.161 0.166 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -1.186 -4.476 2.081 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -1.983 -3.395 2.307 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -2.958 -3.684 2.239 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -1.748 -5.524 1.732 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 0.339 -4.460 2.388 0.00 0.00 +0.137 C ATOM 18 C LIG 1 1.085 -3.134 2.432 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 1.110 -5.077 0.117 0.00 0.00 +0.101 C ATOM 20 N LIG 1 1.040 -5.443 1.526 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 0.515 -6.321 1.595 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 1.269 0.684 -0.643 0.00 0.00 -0.280 N ATOM 23 H LIG 1 0.833 -0.020 -1.234 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 2.584 1.015 -0.899 0.00 0.00 +0.249 C ATOM 25 O LIG 1 3.306 1.730 -0.214 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 3.175 0.364 -2.104 0.00 0.00 +0.044 A ATOM 27 C LIG 1 2.419 0.135 -3.264 0.00 0.00 +0.062 A ATOM 28 C LIG 1 3.008 -0.494 -4.364 0.00 0.00 +0.166 A ATOM 29 C LIG 1 4.368 -0.852 -4.301 0.00 0.00 +0.204 A ATOM 30 C LIG 1 5.134 -0.630 -3.142 0.00 0.00 +0.166 A ATOM 31 C LIG 1 4.528 -0.008 -2.050 0.00 0.00 +0.062 A BRANCH 28 32 ATOM 32 O LIG 1 2.362 -0.769 -5.540 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 0.942 -0.742 -5.523 0.00 0.00 +0.277 C ENDBRANCH 28 32 BRANCH 29 34 ATOM 34 O LIG 1 4.943 -1.500 -5.374 0.00 0.00 -0.488 OA ATOM 35 C LIG 1 5.505 -0.541 -6.270 0.00 0.00 +0.277 C ENDBRANCH 29 34 BRANCH 30 36 ATOM 36 O LIG 1 6.439 -1.044 -3.184 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 7.218 -0.883 -2.004 0.00 0.00 +0.277 C ENDBRANCH 30 36 ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 38 ATOM 38 C LIG 1 -4.047 0.986 2.427 0.00 0.00 +0.149 C BRANCH 38 39 ATOM 39 C LIG 1 -4.250 2.329 1.744 0.00 0.00 -0.022 A ATOM 40 C LIG 1 -4.336 3.563 2.457 0.00 0.00 -0.013 A ATOM 41 C LIG 1 -4.483 4.763 1.714 0.00 0.00 -0.018 A ATOM 42 C LIG 1 -4.544 6.003 2.374 0.00 0.00 +0.008 A ATOM 43 C LIG 1 -4.473 6.085 3.763 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -4.345 4.924 4.510 0.00 0.00 +0.001 A ATOM 45 C LIG 1 -4.569 4.723 0.315 0.00 0.00 +0.008 A ATOM 46 C LIG 1 -4.526 3.514 -0.368 0.00 0.00 +0.001 A ATOM 47 C LIG 1 -4.283 3.684 3.868 0.00 0.00 +0.009 A ATOM 48 C LIG 1 -4.375 2.329 0.340 0.00 0.00 +0.006 A ENDBRANCH 38 39 ENDBRANCH 4 38 TORSDOF 10