REMARK Name = BDB032267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.623 -0.434 1.148 0.00 0.00 +0.138 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -1.491 0.408 0.341 0.00 0.00 +0.119 A ATOM 3 N LIG 1 -1.037 -0.858 0.252 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 0.273 -1.085 0.508 0.00 0.00 +0.118 A ATOM 5 C LIG 1 1.185 -0.102 0.862 0.00 0.00 -0.012 A ATOM 6 C LIG 1 0.698 1.201 0.965 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.648 1.456 0.706 0.00 0.00 +0.044 A BRANCH 2 8 ATOM 8 N LIG 1 -2.847 0.703 0.116 0.00 0.00 -0.329 N ATOM 9 H LIG 1 -2.907 1.479 -0.537 0.00 0.00 +0.147 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.650 -0.438 -0.321 0.00 0.00 +0.106 C BRANCH 10 15 ATOM 11 C LIG 1 -9.331 0.290 -0.461 0.00 0.00 +0.104 C ATOM 12 N LIG 1 -7.877 0.231 -0.581 0.00 0.00 -0.305 NA ATOM 13 C LIG 1 -7.228 0.860 0.579 0.00 0.00 +0.084 C ATOM 14 C LIG 1 -5.782 0.395 0.807 0.00 0.00 +0.020 C ATOM 15 C LIG 1 -5.112 -0.007 -0.511 0.00 0.00 +0.008 C ATOM 16 C LIG 1 -5.924 -1.133 -1.184 0.00 0.00 +0.020 C ATOM 17 C LIG 1 -7.406 -1.136 -0.788 0.00 0.00 +0.084 C ENDBRANCH 10 15 ENDBRANCH 8 10 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 18 ATOM 18 N LIG 1 3.491 0.311 0.243 0.00 0.00 -0.340 N ATOM 19 H LIG 1 3.118 0.354 -0.703 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 4.869 0.088 0.255 0.00 0.00 +0.028 A ATOM 21 C LIG 1 5.628 0.539 -0.834 0.00 0.00 +0.034 A ATOM 22 C LIG 1 7.033 0.416 -0.875 0.00 0.00 +0.024 A ATOM 23 C LIG 1 7.721 -0.150 0.218 0.00 0.00 +0.025 A ATOM 24 C LIG 1 9.134 -0.251 0.126 0.00 0.00 +0.124 A ATOM 25 N LIG 1 9.836 0.165 -0.947 0.00 0.00 -0.237 NA ATOM 26 C LIG 1 9.143 0.704 -1.972 0.00 0.00 +0.151 A ATOM 27 C LIG 1 6.956 -0.565 1.330 0.00 0.00 +0.014 A ATOM 28 C LIG 1 7.771 0.847 -1.978 0.00 0.00 +0.149 A ATOM 29 F LIG 1 7.165 1.392 -3.044 0.00 0.00 -0.203 F ATOM 30 C LIG 1 5.561 -0.433 1.349 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 31 N LIG 1 9.894 -0.798 1.171 0.00 0.00 -0.343 N ATOM 32 H LIG 1 9.593 -1.751 1.347 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 9.753 -0.250 2.013 0.00 0.00 +0.144 HD ENDBRANCH 24 31 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 7