REMARK Name = BDB019437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.398 -0.825 -1.517 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.616 -1.089 -2.622 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.314 -2.472 -3.013 0.00 0.00 +0.164 C ATOM 4 C LIG 1 -0.048 -2.376 -4.511 0.00 0.00 +0.065 C ATOM 5 C LIG 1 0.613 -1.012 -4.665 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -0.090 -0.155 -3.606 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -1.745 -1.767 -0.793 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.898 -3.006 -2.221 0.00 0.00 +0.234 C ATOM 9 N LIG 1 0.615 -3.264 -0.898 0.00 0.00 -0.310 N ATOM 10 H LIG 1 -0.254 -2.875 -0.530 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 2.005 -3.179 -2.726 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 1.639 -3.615 0.054 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 2.220 -2.388 0.704 0.00 0.00 -0.030 A ATOM 14 C LIG 1 3.400 -1.815 0.222 0.00 0.00 +0.006 A ATOM 15 C LIG 1 3.920 -0.654 0.807 0.00 0.00 +0.008 A ATOM 16 C LIG 1 3.268 -0.028 1.880 0.00 0.00 -0.022 A ATOM 17 C LIG 1 2.085 -0.611 2.355 0.00 0.00 +0.008 A ATOM 18 C LIG 1 1.562 -1.770 1.772 0.00 0.00 +0.006 A BRANCH 16 19 ATOM 19 C LIG 1 3.814 1.198 2.481 0.00 0.00 -0.044 C ATOM 20 C LIG 1 5.239 1.630 2.289 0.00 0.00 +0.036 C ATOM 21 C LIG 1 5.411 2.729 3.337 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.007 3.244 3.632 0.00 0.00 +0.028 C ATOM 23 C LIG 1 3.143 2.102 3.213 0.00 0.00 -0.023 C ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 24 ATOM 24 O LIG 1 0.403 -0.513 -5.977 0.00 0.00 -0.390 OA ATOM 25 H LIG 1 1.024 0.223 -6.113 0.00 0.00 +0.210 HD ENDBRANCH 5 24 BRANCH 1 26 ATOM 26 C LIG 1 -1.887 0.634 -1.252 0.00 0.00 +0.165 C BRANCH 26 27 ATOM 27 N LIG 1 -2.971 0.607 -0.256 0.00 0.00 -0.281 N ATOM 28 C LIG 1 -2.820 0.381 1.106 0.00 0.00 +0.248 C ATOM 29 O LIG 1 -1.807 0.320 1.774 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -4.167 0.207 1.661 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -5.079 0.249 0.610 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -6.433 0.103 0.854 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -6.848 -0.082 2.178 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.915 -0.124 3.230 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.551 0.021 2.975 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -4.354 0.436 -0.677 0.00 0.00 +0.144 C ENDBRANCH 26 27 BRANCH 26 38 ATOM 37 C LIG 1 -1.396 3.044 -0.506 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.809 1.727 -1.027 0.00 0.00 +0.012 C ATOM 39 C LIG 1 0.393 1.312 -0.183 0.00 0.00 +0.009 C ENDBRANCH 26 38 ENDBRANCH 1 26 TORSDOF 8