REMARK Name = BDB025176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.326 -0.928 -1.054 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.059 -1.533 -0.981 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.845 -2.879 -1.569 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.565 -3.966 -0.750 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.374 -3.306 -1.699 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.508 -2.136 -2.106 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.640 -1.088 -1.041 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.530 -0.343 -0.590 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.776 -0.416 -0.994 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -1.444 0.474 -0.281 0.00 0.00 +0.120 A ATOM 11 N LIG 1 -0.593 1.140 0.584 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.683 0.633 0.382 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.932 0.931 0.934 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.034 0.199 0.471 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.915 -0.800 -0.505 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.621 0.195 -0.656 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.882 2.240 1.506 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.125 3.570 0.769 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.374 4.750 1.722 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.409 4.415 2.801 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.107 3.107 3.531 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.965 1.945 2.550 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.084 5.244 2.346 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.978 4.649 2.404 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.205 6.479 2.869 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 0.686 6.678 3.227 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.540 -1.137 -1.826 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.245 -1.722 -1.684 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.903 0.718 -0.469 0.00 0.00 +0.170 C BRANCH 29 30 ATOM 30 C LIG 1 -3.698 -0.406 0.178 0.00 0.00 +0.223 C ATOM 31 N LIG 1 -4.166 -1.421 -0.629 0.00 0.00 -0.301 N ATOM 32 C LIG 1 -4.925 -2.528 -0.076 0.00 0.00 +0.108 C ATOM 33 C LIG 1 -5.405 -3.300 -1.295 0.00 0.00 +0.020 C ATOM 34 C LIG 1 -4.272 -3.087 -2.291 0.00 0.00 +0.020 C ATOM 35 C LIG 1 -3.852 -1.646 -2.032 0.00 0.00 +0.108 C ATOM 36 O LIG 1 -3.938 -0.388 1.389 0.00 0.00 -0.275 OA ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6