REMARK Name = BDB025153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.700 1.088 -1.560 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.635 1.479 -0.730 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.576 2.864 -0.201 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.675 3.108 0.850 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.237 3.260 0.442 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.078 2.680 -0.336 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.227 1.188 -0.315 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.118 0.334 -0.140 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.801 0.660 0.053 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.143 -0.478 0.146 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -1.008 -1.552 0.050 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -2.280 -1.044 -0.156 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -3.529 -1.637 -0.353 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -4.626 -0.782 -0.536 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -4.501 0.614 -0.525 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.844 -0.007 -2.094 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.699 -2.975 0.127 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -0.023 -3.515 -1.137 0.00 0.00 +0.184 C ATOM 19 O LIG 1 0.144 -4.929 -1.024 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 0.965 -5.348 0.066 0.00 0.00 +0.160 C ATOM 21 C LIG 1 1.254 -4.274 1.111 0.00 0.00 +0.030 C ATOM 22 C LIG 1 0.029 -3.415 1.412 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 -8.682 1.769 -2.632 0.00 0.00 +0.282 C ATOM 24 O LIG 1 -7.593 2.104 -1.772 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 1.341 -0.555 0.338 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 2.087 0.545 -0.441 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 3.565 0.551 -0.076 0.00 0.00 -0.033 A ATOM 28 C LIG 1 4.093 1.615 0.668 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.443 1.632 1.030 0.00 0.00 +0.004 A ATOM 30 C LIG 1 6.299 0.585 0.660 0.00 0.00 -0.045 A ATOM 31 C LIG 1 5.769 -0.479 -0.082 0.00 0.00 +0.004 A ATOM 32 C LIG 1 4.419 -0.497 -0.445 0.00 0.00 +0.005 A BRANCH 30 33 ATOM 33 C LIG 1 7.769 0.584 1.039 0.00 0.00 +0.013 C ATOM 34 C LIG 1 8.514 1.761 0.406 0.00 0.00 +0.012 C ATOM 35 C LIG 1 7.959 0.571 2.558 0.00 0.00 +0.012 C ENDBRANCH 30 33 ENDBRANCH 26 27 BRANCH 26 36 ATOM 36 C LIG 1 1.879 0.357 -1.932 0.00 0.00 +0.313 C ATOM 37 O LIG 1 1.722 -0.706 -2.516 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 1.927 1.513 -2.625 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 1.777 1.245 -3.554 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 26 36 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 8