REMARK Name = BDB024942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.328 -1.540 -1.393 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.985 -1.855 -1.667 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.668 -3.186 -2.224 0.00 0.00 +0.082 C ATOM 4 C LIG 1 3.489 -4.221 -1.105 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.482 -3.139 -3.182 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.253 -2.609 -2.481 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.554 -1.334 -1.746 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.482 -0.474 -1.407 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.852 -0.628 -1.675 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.469 0.424 -1.169 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -0.551 1.267 -0.558 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.704 0.706 -0.717 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.987 1.093 -0.336 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.047 0.234 -0.664 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.872 -0.976 -1.357 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.769 -0.466 -0.997 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.837 2.510 0.156 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.489 2.432 1.650 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -0.980 3.677 2.403 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.893 4.973 1.579 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.115 4.873 0.439 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.237 3.748 -0.536 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.244 3.794 3.719 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.692 3.489 4.811 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 1.020 4.235 3.594 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 1.369 4.231 4.510 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.547 -2.336 -1.369 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.167 -2.598 -1.628 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.955 0.655 -1.258 0.00 0.00 +0.181 C ATOM 30 C LIG 1 -3.412 0.582 -2.714 0.00 0.00 +0.046 C BRANCH 29 31 ATOM 31 O LIG 1 -3.650 -0.379 -0.547 0.00 0.00 -0.366 OA BRANCH 31 32 ATOM 32 C LIG 1 -3.567 -0.303 0.881 0.00 0.00 +0.119 C ATOM 33 C LIG 1 -2.545 -1.339 1.376 0.00 0.00 +0.031 C ATOM 34 C LIG 1 -2.918 -1.908 2.738 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -4.267 -2.627 2.697 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -5.240 -2.035 1.675 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -4.978 -0.551 1.439 0.00 0.00 +0.031 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7