REMARK Name = BDB063414 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.241 -0.402 0.099 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.146 -1.214 0.798 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -2.524 -0.969 0.763 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -3.048 0.101 0.029 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.151 0.913 -0.673 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -0.770 0.662 -0.635 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.498 0.322 0.024 0.00 0.00 +0.139 A ATOM 8 N LIG 1 -5.118 1.436 -0.493 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -4.652 2.223 -0.916 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -6.474 1.311 -0.327 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -6.633 0.094 0.331 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -7.935 -0.329 0.654 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -9.027 0.488 0.301 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -8.826 1.702 -0.358 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -7.539 2.142 -0.686 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -5.405 -0.500 0.518 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 -8.156 -1.601 1.367 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -7.501 -1.947 2.339 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 -9.170 -2.388 0.884 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -9.218 -3.318 1.280 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -9.523 -2.260 -0.054 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 1.122 -0.699 0.177 0.00 0.00 -0.284 N ATOM 23 H LIG 1 1.383 -1.501 0.731 0.00 0.00 +0.155 HD BRANCH 22 26 ATOM 24 C LIG 1 4.587 -0.266 -0.484 0.00 0.00 +0.130 A ATOM 25 N LIG 1 3.416 -0.753 -0.024 0.00 0.00 -0.199 NA ATOM 26 C LIG 1 2.273 -0.129 -0.359 0.00 0.00 +0.221 A ATOM 27 N LIG 1 2.231 0.955 -1.142 0.00 0.00 -0.223 NA ATOM 28 C LIG 1 3.400 1.415 -1.610 0.00 0.00 +0.118 A ATOM 29 C LIG 1 4.609 0.840 -1.315 0.00 0.00 +0.064 A BRANCH 24 31 ATOM 30 C LIG 1 5.627 -2.119 0.656 0.00 0.00 +0.137 C ATOM 31 N LIG 1 5.813 -0.913 -0.162 0.00 0.00 -0.288 N BRANCH 31 32 ATOM 32 C LIG 1 7.028 -0.249 0.151 0.00 0.00 +0.035 A ATOM 33 C LIG 1 8.251 -0.807 -0.260 0.00 0.00 +0.026 A ATOM 34 C LIG 1 9.461 -0.174 0.033 0.00 0.00 +0.040 A ATOM 35 C LIG 1 9.454 1.020 0.741 0.00 0.00 +0.124 A ATOM 36 F LIG 1 10.614 1.627 1.023 0.00 0.00 -0.205 F ATOM 37 C LIG 1 8.261 1.593 1.163 0.00 0.00 +0.040 A ATOM 38 C LIG 1 7.051 0.960 0.868 0.00 0.00 +0.026 A ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 6