REMARK Name = BDB056129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.534 -1.085 -1.114 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.175 -0.472 0.552 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.371 -1.433 -0.023 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.029 -2.165 0.592 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.356 0.638 0.051 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 1.808 -0.881 1.901 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 4.207 -0.359 1.694 0.00 0.00 +0.230 C ATOM 8 N LIG 1 2.949 0.001 2.140 0.00 0.00 -0.302 N ATOM 9 H LIG 1 2.737 0.991 2.090 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 4.475 -1.484 1.275 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 5.245 0.782 1.757 0.00 0.00 +0.137 C ATOM 12 C LIG 1 5.104 1.649 0.508 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 6.933 -0.299 3.130 0.00 0.00 +0.101 C ATOM 14 N LIG 1 6.620 0.240 1.811 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 6.668 -0.528 1.134 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 0.771 -0.833 3.046 0.00 0.00 +0.012 C ATOM 17 C LIG 1 1.363 -1.399 4.340 0.00 0.00 +0.009 C ATOM 18 C LIG 1 0.206 0.568 3.300 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.930 -0.873 -0.491 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -2.834 -0.243 -1.317 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -2.470 0.258 -2.118 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -2.207 -1.276 0.639 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.155 0.161 -0.851 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -4.148 1.652 -0.569 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -4.753 2.574 -1.445 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -4.696 3.945 -1.149 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -4.032 4.402 -0.011 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.425 3.494 0.851 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.527 2.126 -2.660 0.00 0.00 +0.035 C ATOM 30 C LIG 1 -5.211 0.696 -3.088 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -3.483 2.129 0.575 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -5.221 -0.238 -1.882 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 -0.582 -2.192 -2.168 0.00 0.00 +0.041 C BRANCH 33 34 ATOM 34 C LIG 1 0.771 -2.382 -2.855 0.00 0.00 +0.098 C BRANCH 34 35 ATOM 35 C LIG 1 0.700 -3.409 -3.963 0.00 0.00 +0.211 C ATOM 36 O LIG 1 -0.327 -3.962 -4.335 0.00 0.00 -0.276 OA ATOM 37 N LIG 1 1.899 -3.671 -4.558 0.00 0.00 -0.329 N ATOM 38 H LIG 1 2.777 -3.381 -4.151 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 1.915 -4.404 -5.256 0.00 0.00 +0.145 HD ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 11