REMARK Name = BDB025534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.071 -2.468 0.871 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.186 -3.010 1.015 0.00 0.00 -0.302 N ATOM 3 H LIG 1 1.388 -3.907 0.587 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.507 -1.603 1.631 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -1.514 -0.869 -1.123 0.00 0.00 +0.241 C ATOM 6 N LIG 1 -1.935 -2.184 -0.846 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -0.940 -3.087 -0.249 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -0.270 -3.728 -1.456 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -1.482 -4.000 -2.351 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -2.491 -2.880 -2.007 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -0.324 -0.616 -1.306 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 O LIG 1 -2.009 -5.280 -2.002 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -2.788 -5.446 -2.562 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -2.642 0.171 -1.293 0.00 0.00 +0.200 C BRANCH 14 15 ATOM 15 N LIG 1 -3.741 -0.111 -0.374 0.00 0.00 -0.239 N ATOM 16 N LIG 1 -4.988 -0.288 -0.864 0.00 0.00 -0.065 NA ATOM 17 N LIG 1 -5.790 -0.536 0.162 0.00 0.00 -0.138 NA ATOM 18 C LIG 1 -5.037 -0.522 1.300 0.00 0.00 +0.156 A ATOM 19 C LIG 1 -3.729 -0.256 0.983 0.00 0.00 +0.131 A ENDBRANCH 14 15 BRANCH 14 21 ATOM 20 C LIG 1 -1.433 2.078 -0.009 0.00 0.00 +0.013 C ATOM 21 C LIG 1 -2.189 1.679 -1.290 0.00 0.00 -0.007 C ATOM 22 C LIG 1 -1.284 1.973 -2.510 0.00 0.00 +0.013 C ATOM 23 C LIG 1 -3.419 2.609 -1.427 0.00 0.00 +0.013 C ENDBRANCH 14 21 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 2.066 -2.633 2.122 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 2.381 -3.924 2.891 0.00 0.00 +0.231 C ATOM 26 O LIG 1 2.312 -5.043 2.385 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 2.809 -3.768 4.179 0.00 0.00 -0.328 N ATOM 28 H LIG 1 2.575 -2.934 4.703 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 2.923 -4.623 4.710 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 3.379 -2.001 1.634 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.216 -0.554 1.229 0.00 0.00 -0.045 A ATOM 32 C LIG 1 3.503 0.477 2.131 0.00 0.00 +0.004 A ATOM 33 C LIG 1 3.308 1.814 1.767 0.00 0.00 +0.009 A ATOM 34 C LIG 1 2.818 2.157 0.497 0.00 0.00 -0.018 A ATOM 35 C LIG 1 2.544 1.116 -0.401 0.00 0.00 +0.009 A ATOM 36 C LIG 1 2.740 -0.220 -0.042 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 2.584 3.561 0.123 0.00 0.00 -0.018 A ATOM 38 C LIG 1 1.777 4.395 0.915 0.00 0.00 +0.008 A ATOM 39 C LIG 1 1.548 5.726 0.558 0.00 0.00 +0.001 A ATOM 40 C LIG 1 2.124 6.247 -0.598 0.00 0.00 +0.000 A ATOM 41 C LIG 1 2.927 5.438 -1.397 0.00 0.00 +0.001 A ATOM 42 C LIG 1 3.154 4.106 -1.040 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10