REMARK Name = BDB024691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.357 -1.546 -0.658 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.010 -1.937 -0.756 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.758 -3.353 -1.100 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.112 -3.646 -2.567 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.318 -3.833 -0.856 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.750 -3.206 0.399 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.763 -1.718 0.199 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.683 -0.901 0.592 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.498 -1.264 1.182 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.195 -0.157 1.332 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.477 0.938 0.883 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.730 0.474 0.391 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.833 1.093 -0.203 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.906 0.275 -0.581 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.901 -1.111 -0.374 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.298 -2.264 -0.990 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.903 2.335 0.942 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.090 2.964 -0.455 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -0.847 4.482 -0.469 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -1.335 5.127 0.831 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -0.591 4.590 2.056 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.017 3.184 1.862 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.506 5.098 -1.636 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -2.025 5.580 -2.554 0.00 0.00 -0.196 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.922 0.052 0.063 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.552 -0.319 -0.094 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.564 -0.117 1.940 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.686 0.056 0.902 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.942 -1.067 -0.095 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.668 -0.775 -1.265 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.940 -1.768 -2.209 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.494 -3.069 -1.998 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.779 -3.376 -0.845 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.507 -2.384 0.102 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.938 0.426 1.670 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.383 1.559 1.778 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.528 -0.601 2.309 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.325 -0.216 2.729 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8