REMARK Name = BDB024638 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.542 0.721 1.069 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.417 1.304 0.459 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.517 2.657 -0.143 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.384 2.639 -1.416 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.174 3.304 -0.519 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.126 3.005 0.527 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.968 1.514 0.590 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.700 0.909 0.716 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.533 1.504 0.771 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.412 0.528 0.861 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.775 -0.701 0.913 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.584 -0.472 0.802 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.703 -1.307 0.768 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.960 -0.699 0.649 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.117 0.692 0.565 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.582 -0.368 1.632 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.427 -2.004 1.018 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.260 -2.849 -0.255 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -2.133 -4.122 -0.231 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -2.361 -4.646 1.202 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -1.200 -4.299 2.128 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -1.042 -2.784 2.290 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.467 -3.903 -0.958 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 O LIG 1 -4.194 -2.850 -0.340 0.00 0.00 -0.395 OA ATOM 25 H LIG 1 -4.899 -2.578 -0.958 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 27 ATOM 26 C LIG 1 7.805 1.004 1.650 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.640 1.535 1.016 0.00 0.00 -0.453 OA ENDBRANCH 1 27 BRANCH 10 28 ATOM 28 C LIG 1 -2.897 0.745 0.900 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -3.567 0.511 -0.467 0.00 0.00 +0.135 C BRANCH 29 30 ATOM 30 C LIG 1 -3.234 1.571 -1.506 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -3.658 2.901 -1.358 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.342 3.860 -2.323 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.595 3.503 -3.443 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.161 2.189 -3.600 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.477 1.228 -2.637 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.066 0.395 -0.264 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -5.744 0.992 0.557 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.662 -0.455 -1.132 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -6.614 -0.345 -0.920 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 9