REMARK Name = BDB048186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.326 -0.689 0.463 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -1.043 -0.395 0.621 0.00 0.00 +0.001 A ATOM 3 C LIG 1 -1.594 0.919 0.113 0.00 0.00 +0.058 C ATOM 4 C LIG 1 -3.086 0.836 -0.175 0.00 0.00 +0.116 C ATOM 5 N LIG 1 -3.808 0.320 0.976 0.00 0.00 -0.263 N ATOM 6 C LIG 1 -3.363 -0.950 1.523 0.00 0.00 +0.146 C ATOM 7 C LIG 1 -5.093 0.722 1.296 0.00 0.00 +0.403 C ATOM 8 O LIG 1 -5.801 0.149 2.117 0.00 0.00 -0.226 OA ATOM 9 C LIG 1 -1.900 -1.294 1.303 0.00 0.00 -0.020 A ATOM 10 C LIG 1 -1.374 -2.514 1.790 0.00 0.00 -0.042 A ATOM 11 C LIG 1 -0.012 -2.793 1.605 0.00 0.00 +0.007 A ATOM 12 C LIG 1 0.830 -1.891 0.955 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 1.074 0.263 -0.180 0.00 0.00 -0.491 OA BRANCH 13 14 ATOM 14 C LIG 1 2.463 -0.010 -0.382 0.00 0.00 +0.235 C BRANCH 14 15 ATOM 15 C LIG 1 3.075 1.175 -1.123 0.00 0.00 +0.100 C BRANCH 15 18 ATOM 16 C LIG 1 4.551 0.554 -4.095 0.00 0.00 +0.088 C ATOM 17 C LIG 1 5.057 0.681 -2.719 0.00 0.00 +0.126 A ATOM 18 C LIG 1 4.493 0.935 -1.487 0.00 0.00 +0.086 A ATOM 19 N LIG 1 5.476 0.935 -0.523 0.00 0.00 -0.214 NA ATOM 20 C LIG 1 6.590 0.695 -1.191 0.00 0.00 +0.228 A ATOM 21 O LIG 1 6.403 0.527 -2.539 0.00 0.00 -0.440 OA BRANCH 20 22 ATOM 22 C LIG 1 7.959 0.583 -0.694 0.00 0.00 +0.037 A ATOM 23 C LIG 1 9.040 0.311 -1.546 0.00 0.00 +0.013 A ATOM 24 C LIG 1 10.340 0.210 -1.041 0.00 0.00 +0.001 A ATOM 25 C LIG 1 10.575 0.381 0.322 0.00 0.00 +0.000 A ATOM 26 C LIG 1 9.513 0.651 1.181 0.00 0.00 +0.001 A ATOM 27 C LIG 1 8.214 0.751 0.676 0.00 0.00 +0.013 A ENDBRANCH 20 22 ENDBRANCH 15 18 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 7 28 ATOM 28 O LIG 1 -5.489 1.820 0.597 0.00 0.00 -0.450 OA BRANCH 28 29 ATOM 29 C LIG 1 -6.819 2.268 0.890 0.00 0.00 +0.236 C BRANCH 29 30 ATOM 30 C LIG 1 -7.135 3.492 0.021 0.00 0.00 +0.021 C ATOM 31 C LIG 1 -7.087 3.145 -1.469 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -8.501 4.068 0.389 0.00 0.00 +0.010 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 7 28 BRANCH 10 33 ATOM 33 C LIG 1 -2.225 -3.557 2.492 0.00 0.00 +0.046 C BRANCH 33 34 ATOM 34 C LIG 1 -2.914 -4.517 1.524 0.00 0.00 +0.125 C BRANCH 34 35 ATOM 35 C LIG 1 -1.971 -5.546 0.964 0.00 0.00 +0.305 C ATOM 36 O LIG 1 -0.967 -5.995 1.491 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.378 -6.010 -0.234 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -1.700 -6.674 -0.477 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 12