REMARK Name = BDB013101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.370 -0.191 0.077 0.00 0.00 +0.046 A ATOM 2 C LIG 1 0.629 -1.396 -0.068 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -0.725 -1.335 0.159 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -1.181 -2.610 -0.017 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -0.184 -3.397 -0.353 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -1.398 -0.156 0.507 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -0.709 0.945 0.649 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.959 -2.631 -0.387 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 0.655 0.896 0.442 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.604 0.016 -0.388 0.00 0.00 +0.072 A ATOM 11 N LIG 1 5.049 -1.023 0.281 0.00 0.00 -0.256 NA ATOM 12 C LIG 1 3.696 -1.056 0.397 0.00 0.00 +0.119 A ATOM 13 C LIG 1 2.835 -0.081 -0.100 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.429 0.978 -0.792 0.00 0.00 +0.012 A ATOM 15 C LIG 1 4.817 1.031 -0.935 0.00 0.00 +0.027 A BRANCH 10 17 ATOM 16 C LIG 1 7.790 -1.290 -0.248 0.00 0.00 +0.048 C ATOM 17 C LIG 1 7.127 0.065 -0.526 0.00 0.00 +0.102 C ATOM 18 C LIG 1 7.711 1.128 0.408 0.00 0.00 +0.048 C BRANCH 17 19 ATOM 19 O LIG 1 7.475 0.429 -1.873 0.00 0.00 -0.383 OA ATOM 20 H LIG 1 7.041 -0.224 -2.451 0.00 0.00 +0.211 HD ENDBRANCH 17 19 ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 21 ATOM 21 N LIG 1 -2.762 -0.191 0.689 0.00 0.00 -0.310 N ATOM 22 H LIG 1 -3.298 -0.960 0.306 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.530 1.020 0.901 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -4.987 0.661 1.022 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -5.846 0.668 -0.073 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -5.605 1.080 -1.478 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -6.884 0.542 -2.120 0.00 0.00 +0.234 C ATOM 28 O LIG 1 -7.899 0.398 -1.102 0.00 0.00 -0.491 OA ATOM 29 C LIG 1 -7.182 0.318 0.064 0.00 0.00 +0.124 A ATOM 30 C LIG 1 -7.723 -0.057 1.276 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -6.878 -0.094 2.384 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.523 0.255 2.258 0.00 0.00 +0.005 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 6 21 TORSDOF 6