REMARK Name = BDB008250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.419 -0.187 0.024 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.707 0.921 0.271 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.634 0.829 0.342 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.308 -0.365 0.157 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.577 -1.532 -0.093 0.00 0.00 -0.006 A ATOM 6 C LIG 1 0.816 -1.426 -0.158 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.260 -2.835 -0.282 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -1.139 -3.536 -1.502 0.00 0.00 +0.100 A ATOM 9 C LIG 1 -1.822 -4.772 -1.661 0.00 0.00 +0.090 A ATOM 10 N LIG 1 -1.756 -5.489 -2.799 0.00 0.00 -0.252 NA ATOM 11 C LIG 1 -1.010 -4.974 -3.797 0.00 0.00 +0.131 A ATOM 12 C LIG 1 -0.338 -3.781 -3.664 0.00 0.00 +0.131 A ATOM 13 C LIG 1 -2.582 -5.280 -0.621 0.00 0.00 +0.033 A ATOM 14 C LIG 1 -2.699 -4.603 0.589 0.00 0.00 +0.048 A ATOM 15 N LIG 1 -0.386 -3.056 -2.527 0.00 0.00 -0.251 NA ATOM 16 C LIG 1 -2.055 -3.379 0.751 0.00 0.00 +0.130 A BRANCH 16 17 ATOM 17 O LIG 1 -2.104 -2.721 1.956 0.00 0.00 -0.494 OA ATOM 18 C LIG 1 -3.438 -2.477 2.409 0.00 0.00 +0.277 C ENDBRANCH 16 17 ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 3.600 1.000 0.102 0.00 0.00 +0.235 C ATOM 20 N LIG 1 2.818 -0.138 -0.061 0.00 0.00 -0.269 N ATOM 21 H LIG 1 3.283 -1.010 -0.261 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 3.191 2.127 0.363 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 5.110 0.671 -0.060 0.00 0.00 +0.137 C ATOM 24 C LIG 1 5.628 0.083 1.252 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 5.609 2.360 -1.745 0.00 0.00 +0.101 C ATOM 26 N LIG 1 5.925 1.849 -0.417 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 6.914 1.611 -0.375 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 N LIG 1 -1.260 2.041 0.616 0.00 0.00 -0.265 N ATOM 29 H LIG 1 -0.612 2.821 0.709 0.00 0.00 +0.157 HD ATOM 30 C LIG 1 -2.595 2.307 0.805 0.00 0.00 +0.268 C ATOM 31 O LIG 1 -3.521 1.504 0.766 0.00 0.00 -0.268 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.872 3.753 1.095 0.00 0.00 +0.126 A ATOM 33 N LIG 1 -1.788 4.581 1.131 0.00 0.00 -0.249 NA ATOM 34 C LIG 1 -2.035 5.887 1.396 0.00 0.00 +0.131 A ATOM 35 C LIG 1 -3.304 6.403 1.626 0.00 0.00 +0.059 A ATOM 36 CL LIG 1 -3.530 8.071 1.956 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 -4.392 5.537 1.583 0.00 0.00 +0.024 A ATOM 38 C LIG 1 -4.177 4.185 1.313 0.00 0.00 +0.034 A ENDBRANCH 30 32 ENDBRANCH 3 28 TORSDOF 7