REMARK Name = BDB022756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.924 -2.090 -0.066 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.177 -0.698 0.107 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.491 -0.372 1.261 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.093 -1.518 1.709 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.192 -2.590 0.945 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 1.922 0.248 -0.704 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.057 -0.259 -1.277 0.00 0.00 -0.306 N ATOM 8 H LIG 1 3.443 -1.126 -0.930 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 1.602 1.428 -0.801 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 4.012 0.596 -1.958 0.00 0.00 +0.161 C BRANCH 10 11 ATOM 11 C LIG 1 5.220 -0.198 -2.414 0.00 0.00 +0.077 A ATOM 12 C LIG 1 6.222 0.382 -3.203 0.00 0.00 +0.067 A ATOM 13 CL LIG 1 6.096 2.031 -3.728 0.00 0.00 -0.081 Cl ATOM 14 C LIG 1 7.335 -0.395 -3.564 0.00 0.00 -0.029 A ATOM 15 C LIG 1 8.454 0.152 -4.407 0.00 0.00 +0.045 C ATOM 16 C LIG 1 7.397 -1.721 -3.118 0.00 0.00 +0.024 A ATOM 17 C LIG 1 6.368 -2.218 -2.335 0.00 0.00 +0.111 A ATOM 18 N LIG 1 5.292 -1.493 -1.968 0.00 0.00 -0.257 NA ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 19 ATOM 19 C LIG 1 1.308 -2.984 -1.207 0.00 0.00 +0.217 C BRANCH 19 21 ATOM 20 C LIG 1 -0.721 -3.479 -2.321 0.00 0.00 +0.194 C ATOM 21 O LIG 1 0.508 -2.762 -2.377 0.00 0.00 -0.377 OA ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 4 22 ATOM 22 C LIG 1 -0.941 -1.666 2.886 0.00 0.00 +0.178 C BRANCH 22 23 ATOM 23 C LIG 1 -2.271 -0.968 2.727 0.00 0.00 -0.026 A ATOM 24 C LIG 1 -3.103 -1.238 1.630 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -4.332 -0.587 1.488 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.760 0.340 2.448 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -3.942 0.589 3.559 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -2.711 -0.058 3.698 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 -6.079 1.065 2.287 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 N LIG 1 -5.914 2.509 2.103 0.00 0.00 -0.311 N ATOM 31 C LIG 1 -6.212 3.356 3.172 0.00 0.00 +0.252 A ATOM 32 O LIG 1 -6.620 2.984 4.271 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -6.008 4.812 2.926 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -5.549 5.240 1.743 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -5.247 4.301 0.694 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -5.434 2.990 0.893 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 9