REMARK Name = BDB048708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.680 1.179 0.429 0.00 0.00 +0.118 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.714 0.573 -0.961 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.908 -0.529 -1.269 0.00 0.00 +0.016 A ATOM 4 C LIG 1 -0.902 -1.075 -2.559 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -1.731 -0.481 -3.531 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.735 -1.025 -4.808 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -0.939 -2.126 -5.141 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.117 -2.702 -4.179 0.00 0.00 +0.001 A ATOM 9 N LIG 1 -2.507 0.583 -3.259 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -0.098 -2.182 -2.888 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -2.478 1.088 -2.002 0.00 0.00 +0.116 A ENDBRANCH 1 2 BRANCH 1 13 ATOM 12 C LIG 1 0.470 2.166 1.424 0.00 0.00 +0.011 C ATOM 13 C LIG 1 -0.556 2.185 0.553 0.00 0.00 -0.007 C BRANCH 12 14 ATOM 14 C LIG 1 0.745 1.150 2.497 0.00 0.00 +0.256 C BRANCH 14 15 ATOM 15 O LIG 1 0.735 -0.184 1.992 0.00 0.00 -0.488 OA BRANCH 15 21 ATOM 16 C LIG 1 5.436 0.101 0.397 0.00 0.00 +0.047 C ATOM 17 C LIG 1 4.203 -0.690 0.742 0.00 0.00 -0.005 A ATOM 18 C LIG 1 4.189 -2.092 0.634 0.00 0.00 +0.124 A ATOM 19 C LIG 1 3.028 -2.795 0.962 0.00 0.00 +0.049 A ATOM 20 C LIG 1 1.898 -2.111 1.416 0.00 0.00 +0.049 A ATOM 21 C LIG 1 1.909 -0.722 1.551 0.00 0.00 +0.121 A ATOM 22 C LIG 1 3.058 -0.016 1.204 0.00 0.00 +0.052 A BRANCH 18 23 ATOM 23 O LIG 1 5.348 -2.669 0.185 0.00 0.00 -0.481 OA BRANCH 23 24 ATOM 24 C LIG 1 5.444 -4.091 0.295 0.00 0.00 +0.349 C BRANCH 24 25 ATOM 25 C LIG 1 6.843 -4.518 -0.117 0.00 0.00 +0.343 C ATOM 26 O LIG 1 7.235 -5.677 -0.110 0.00 0.00 -0.247 OA BRANCH 25 27 ATOM 27 O LIG 1 7.627 -3.486 -0.507 0.00 0.00 -0.478 OA ATOM 28 H LIG 1 7.119 -2.648 -0.453 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 15 21 ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 1 13 BRANCH 1 29 ATOM 29 C LIG 1 -2.942 1.840 0.823 0.00 0.00 -0.085 C ATOM 30 C LIG 1 -3.970 2.371 1.145 0.00 0.00 -0.065 C BRANCH 30 31 ATOM 31 C LIG 1 -5.191 3.020 1.506 0.00 0.00 +0.025 A ATOM 32 C LIG 1 -6.411 2.515 1.055 0.00 0.00 +0.017 A ATOM 33 C LIG 1 -7.601 3.160 1.393 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.572 4.310 2.181 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.354 4.813 2.637 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.163 4.168 2.300 0.00 0.00 +0.017 A ENDBRANCH 30 31 ENDBRANCH 1 29 TORSDOF 11