REMARK Name = BDB037769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.998 -2.199 -0.397 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -2.868 -1.143 -0.092 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -2.504 0.190 -0.153 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -3.685 0.947 0.071 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -4.699 0.114 0.354 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 -1.102 0.622 -0.492 0.00 0.00 +0.057 C ATOM 7 C LIG 1 -0.191 -0.501 0.068 0.00 0.00 +0.168 C ATOM 8 N LIG 1 -4.183 -1.138 0.310 0.00 0.00 -0.246 N ATOM 9 C LIG 1 -0.624 -1.876 -0.494 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.222 -2.661 -0.938 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -3.824 2.422 -0.002 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -5.079 3.010 0.140 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -5.245 4.438 0.035 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.669 4.781 0.368 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -7.370 3.496 0.717 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.544 5.306 1.220 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -6.402 2.358 0.292 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -2.833 3.128 -0.205 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -6.865 1.754 -0.978 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -7.253 1.294 -1.972 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -5.028 -2.180 0.884 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.352 -3.030 1.963 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.340 -4.022 2.574 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -6.450 -4.318 1.727 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -6.103 -4.394 0.350 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -5.782 -3.000 -0.169 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 1.246 -0.317 -0.123 0.00 0.00 -0.298 N ATOM 28 H LIG 1 1.728 -1.087 -0.575 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 1.963 0.558 0.673 0.00 0.00 +0.263 C ATOM 30 O LIG 1 1.419 1.287 1.495 0.00 0.00 -0.269 OA BRANCH 29 31 ATOM 31 C LIG 1 3.453 0.547 0.487 0.00 0.00 +0.125 A ATOM 32 N LIG 1 4.195 0.806 1.586 0.00 0.00 -0.249 NA ATOM 33 C LIG 1 5.543 0.802 1.425 0.00 0.00 +0.134 A ATOM 34 C LIG 1 6.234 0.557 0.231 0.00 0.00 +0.048 A ATOM 35 C LIG 1 5.410 0.297 -0.871 0.00 0.00 +0.027 A ATOM 36 C LIG 1 4.016 0.292 -0.756 0.00 0.00 +0.035 A BRANCH 34 37 ATOM 37 N LIG 1 7.613 0.568 0.138 0.00 0.00 -0.326 N ATOM 38 C LIG 1 8.446 1.244 1.150 0.00 0.00 +0.120 C ATOM 39 C LIG 1 9.789 1.723 0.546 0.00 0.00 +0.103 C ATOM 40 N LIG 1 10.600 0.685 -0.122 0.00 0.00 -0.302 NA ATOM 41 C LIG 1 11.675 0.196 0.737 0.00 0.00 +0.105 C ATOM 42 C LIG 1 9.762 -0.437 -0.595 0.00 0.00 +0.103 C ATOM 43 C LIG 1 8.329 -0.026 -1.005 0.00 0.00 +0.120 C ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 44 ATOM 44 C LIG 1 -0.982 0.952 -1.978 0.00 0.00 -0.001 C ATOM 45 C LIG 1 -0.103 0.241 -2.982 0.00 0.00 +0.004 C ATOM 46 C LIG 1 0.253 1.627 -2.524 0.00 0.00 +0.004 C ENDBRANCH 6 44 BRANCH 1 48 ATOM 47 C LIG 1 -2.596 -3.381 -2.485 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -2.392 -3.478 -0.978 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8