REMARK Name = BDB004270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.780 0.214 0.436 0.00 0.00 -0.330 N ATOM 2 C LIG 1 -2.105 1.514 0.255 0.00 0.00 +0.105 C ATOM 3 C LIG 1 -0.637 1.298 -0.115 0.00 0.00 +0.024 C ATOM 4 C LIG 1 0.073 0.413 0.923 0.00 0.00 +0.006 C ATOM 5 C LIG 1 -0.689 -0.911 1.061 0.00 0.00 +0.024 C ATOM 6 C LIG 1 -2.150 -0.657 1.438 0.00 0.00 +0.105 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.263 0.907 -0.705 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -7.031 0.607 0.430 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -6.350 0.164 1.578 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -4.957 0.029 1.598 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -4.183 0.333 0.475 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -4.867 0.755 -0.676 0.00 0.00 +0.069 A BRANCH 8 13 ATOM 13 C LIG 1 -8.557 0.729 0.506 0.00 0.00 +0.067 C ATOM 14 C LIG 1 -9.373 -0.463 -0.060 0.00 0.00 +0.068 C ATOM 15 C LIG 1 -9.674 -0.243 -1.544 0.00 0.00 +0.238 C ATOM 16 O LIG 1 -10.442 0.945 -1.767 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 -9.990 2.064 -1.120 0.00 0.00 +0.128 A ATOM 18 C LIG 1 -10.504 3.276 -1.585 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -10.117 4.468 -0.986 0.00 0.00 +0.120 A ATOM 20 C LIG 1 -9.230 4.472 0.084 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -8.727 3.260 0.559 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -9.102 2.042 -0.037 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 -8.829 -1.840 0.280 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -9.289 -2.499 1.431 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -8.800 -3.760 1.777 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -7.839 -4.378 0.981 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.366 -3.733 -0.160 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.857 -2.474 -0.508 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 -10.636 5.629 -1.480 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -10.261 6.372 -0.982 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 8 13 BRANCH 7 32 ATOM 31 C LIG 1 -6.287 2.307 -2.601 0.00 0.00 +0.277 C ATOM 32 O LIG 1 -6.921 1.280 -1.845 0.00 0.00 -0.495 OA ENDBRANCH 7 32 ENDBRANCH 1 11 BRANCH 4 33 ATOM 33 C LIG 1 1.576 0.239 0.615 0.00 0.00 +0.088 C BRANCH 33 34 ATOM 34 N LIG 1 1.840 -0.389 -0.688 0.00 0.00 -0.299 NA ATOM 35 C LIG 1 2.914 0.304 -1.437 0.00 0.00 +0.110 C ATOM 36 C LIG 1 4.330 0.142 -0.835 0.00 0.00 +0.125 C ATOM 37 N LIG 1 4.672 -1.292 -0.683 0.00 0.00 -0.318 N ATOM 38 C LIG 1 6.031 -1.475 -0.350 0.00 0.00 +0.073 A ATOM 39 C LIG 1 6.980 -0.445 -0.602 0.00 0.00 +0.147 A ATOM 40 O LIG 1 6.671 0.776 -1.150 0.00 0.00 -0.488 OA ATOM 41 C LIG 1 8.308 -0.630 -0.259 0.00 0.00 +0.025 A ATOM 42 C LIG 1 9.461 0.303 -0.379 0.00 0.00 +0.148 C ATOM 43 N LIG 1 10.583 -0.515 0.066 0.00 0.00 -0.281 N ATOM 44 C LIG 1 10.163 -1.740 0.562 0.00 0.00 +0.248 C ATOM 45 O LIG 1 10.818 -2.593 1.127 0.00 0.00 -0.270 OA ATOM 46 C LIG 1 8.722 -1.830 0.302 0.00 0.00 +0.045 A ATOM 47 C LIG 1 7.857 -2.874 0.541 0.00 0.00 +0.015 A ATOM 48 C LIG 1 6.510 -2.689 0.202 0.00 0.00 +0.027 A ATOM 49 C LIG 1 3.643 -2.099 -0.001 0.00 0.00 +0.121 C ATOM 50 C LIG 1 5.369 0.798 -1.746 0.00 0.00 +0.252 C ATOM 51 C LIG 1 2.225 -1.815 -0.564 0.00 0.00 +0.103 C BRANCH 43 52 ATOM 52 C LIG 1 11.896 0.069 0.314 0.00 0.00 +0.163 C ATOM 53 C LIG 1 12.014 0.577 1.760 0.00 0.00 +0.240 C ATOM 54 O LIG 1 11.063 1.011 2.408 0.00 0.00 -0.273 OA ATOM 55 N LIG 1 13.289 0.637 2.275 0.00 0.00 -0.255 N ATOM 56 H LIG 1 13.367 1.000 3.215 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 14.471 0.358 1.637 0.00 0.00 +0.219 C ATOM 58 O LIG 1 15.549 0.580 2.180 0.00 0.00 -0.275 OA ATOM 59 C LIG 1 14.373 -0.143 0.216 0.00 0.00 +0.098 C ATOM 60 C LIG 1 13.057 -0.866 -0.024 0.00 0.00 +0.041 C ENDBRANCH 43 52 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8