REMARK Name = BDB006391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.409 -0.434 -1.077 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.941 -1.675 -0.621 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.839 -1.734 0.259 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.144 -2.809 0.894 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.869 -2.251 1.661 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -0.817 -0.880 1.494 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -1.883 -2.927 2.521 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.449 -4.261 0.763 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.227 -0.541 0.649 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.673 0.709 0.183 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.770 0.743 -0.686 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.392 0.689 -1.930 0.00 0.00 -0.307 N ATOM 13 H LIG 1 4.301 1.302 -1.133 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 3.577 -0.422 -2.000 0.00 0.00 +0.244 C ATOM 15 O LIG 1 3.787 -1.375 -2.741 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.640 0.751 -2.658 0.00 0.00 +0.140 C BRANCH 16 19 ATOM 17 C LIG 1 8.639 1.190 -0.336 0.00 0.00 +0.120 A ATOM 18 C LIG 1 7.575 1.479 -1.194 0.00 0.00 +0.050 A ATOM 19 C LIG 1 6.804 0.444 -1.751 0.00 0.00 -0.027 A ATOM 20 C LIG 1 7.106 -0.886 -1.425 0.00 0.00 +0.005 A ATOM 21 C LIG 1 8.165 -1.177 -0.568 0.00 0.00 +0.004 A ATOM 22 C LIG 1 8.926 -0.142 -0.028 0.00 0.00 +0.045 A BRANCH 17 24 ATOM 23 C LIG 1 9.245 3.473 -0.053 0.00 0.00 +0.277 C ATOM 24 O LIG 1 9.461 2.104 0.264 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -1.706 0.084 2.146 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.081 0.148 1.520 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -4.213 0.204 2.344 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -5.496 0.294 1.794 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.684 0.346 0.405 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -4.547 0.297 -0.417 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -3.264 0.209 0.132 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -7.032 0.452 -0.178 0.00 0.00 -0.004 A ATOM 33 C LIG 1 -7.919 1.514 0.101 0.00 0.00 +0.067 A ATOM 34 C LIG 1 -9.215 1.532 -0.439 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -9.637 0.511 -1.287 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -8.771 -0.535 -1.591 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.487 -0.565 -1.041 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 -7.563 2.658 0.972 0.00 0.00 +0.337 C ATOM 39 O LIG 1 -8.266 3.025 1.897 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 -6.442 3.300 0.584 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 -5.988 2.891 -0.178 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9