REMARK Name = BDB024932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.313 -0.643 -0.498 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.266 0.045 -1.138 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.571 1.177 -2.047 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.239 0.688 -3.345 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.358 2.029 -2.455 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.415 2.211 -1.289 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.956 0.846 -0.868 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.617 0.597 -0.499 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.443 1.464 -0.479 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.485 0.782 -0.034 0.00 0.00 +0.145 A ATOM 11 N LIG 1 -1.128 -0.543 0.181 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.223 -0.667 -0.083 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.128 -1.729 -0.006 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.458 -1.472 -0.365 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.893 -0.208 -0.788 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.196 -1.565 0.303 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.014 -1.609 0.644 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.679 -2.070 2.068 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.735 -3.041 2.617 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.406 -3.894 1.527 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.495 -4.104 0.321 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.131 -2.780 -0.352 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.092 -3.918 3.670 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.642 -5.040 3.515 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.022 -3.308 4.869 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.565 -3.957 5.444 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.641 -0.786 -0.183 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.542 -0.142 -0.829 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.877 1.337 0.197 0.00 0.00 +0.214 C BRANCH 29 30 ATOM 30 C LIG 1 -3.005 2.818 -0.132 0.00 0.00 -0.012 A ATOM 31 C LIG 1 -2.463 3.798 0.716 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -2.592 5.154 0.412 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.261 5.548 -0.745 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.795 4.588 -1.602 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.667 3.230 -1.300 0.00 0.00 +0.006 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 O LIG 1 -3.192 1.092 1.580 0.00 0.00 -0.367 OA ATOM 37 C LIG 1 -4.588 1.151 1.846 0.00 0.00 +0.195 C ENDBRANCH 29 36 ENDBRANCH 10 29 TORSDOF 7