REMARK Name = BDB041183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.236 -0.943 -0.292 0.00 0.00 -0.322 N ATOM 2 H LIG 1 0.290 -1.488 -0.970 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.070 -2.421 -0.816 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -1.615 -1.136 -0.514 0.00 0.00 +0.165 A ATOM 5 N LIG 1 -2.458 -0.098 -0.354 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -3.775 -0.338 -0.491 0.00 0.00 +0.164 A ATOM 7 N LIG 1 -4.309 -1.534 -0.790 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -3.436 -2.550 -0.948 0.00 0.00 +0.162 A BRANCH 6 9 ATOM 9 C LIG 1 -4.676 0.807 -0.378 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.781 0.866 0.516 0.00 0.00 +0.060 A ATOM 11 C LIG 1 -6.645 1.976 0.537 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -7.657 1.728 1.502 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -7.395 0.508 2.072 0.00 0.00 +0.086 A ATOM 14 C LIG 1 -6.406 3.067 -0.322 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -5.311 3.045 -1.180 0.00 0.00 +0.001 A ATOM 16 N LIG 1 -6.252 0.006 1.499 0.00 0.00 -0.349 N ATOM 17 C LIG 1 -5.645 -1.230 1.943 0.00 0.00 +0.149 C ATOM 18 C LIG 1 -4.469 1.939 -1.203 0.00 0.00 +0.013 A ENDBRANCH 6 9 BRANCH 3 20 ATOM 19 C LIG 1 -1.629 -4.732 -1.145 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -1.138 -3.408 -0.979 0.00 0.00 -0.490 OA ENDBRANCH 3 20 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 0.188 0.446 -0.223 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 C LIG 1 1.697 0.495 -0.124 0.00 0.00 -0.030 A ATOM 23 C LIG 1 2.345 0.043 1.030 0.00 0.00 +0.007 A ATOM 24 C LIG 1 3.740 0.079 1.122 0.00 0.00 +0.028 A ATOM 25 C LIG 1 4.523 0.576 0.065 0.00 0.00 +0.066 A ATOM 26 C LIG 1 3.873 1.007 -1.096 0.00 0.00 +0.028 A ATOM 27 C LIG 1 2.474 0.968 -1.188 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 N LIG 1 5.947 0.592 0.213 0.00 0.00 -0.236 N ATOM 29 C LIG 1 6.943 1.205 -0.546 0.00 0.00 +0.042 A ATOM 30 C LIG 1 6.748 2.150 -1.673 0.00 0.00 +0.066 C ATOM 31 C LIG 1 8.148 0.797 -0.007 0.00 0.00 +0.057 A ATOM 32 C LIG 1 7.828 0.000 1.111 0.00 0.00 +0.166 A ATOM 33 N LIG 1 6.497 -0.088 1.260 0.00 0.00 -0.162 NA BRANCH 32 34 ATOM 34 C LIG 1 8.798 -0.662 2.052 0.00 0.00 +0.436 C ATOM 35 F LIG 1 10.091 -0.412 1.701 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.664 -2.015 2.072 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.661 -0.229 3.334 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7