REMARK Name = BDB001084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.142 2.710 0.790 0.00 0.00 +0.256 C ATOM 2 N LIG 1 3.446 1.874 1.666 0.00 0.00 -0.295 N ATOM 3 C LIG 1 2.119 2.300 2.114 0.00 0.00 +0.127 C ATOM 4 C LIG 1 1.031 1.629 1.260 0.00 0.00 +0.127 C ATOM 5 N LIG 1 1.202 0.160 1.201 0.00 0.00 -0.295 N ATOM 6 C LIG 1 0.168 -0.684 0.782 0.00 0.00 +0.247 C ATOM 7 O LIG 1 0.359 -1.759 0.217 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.569 -0.296 0.894 0.00 0.00 +0.127 C ATOM 9 C LIG 1 3.627 0.421 1.748 0.00 0.00 +0.127 C ATOM 10 O LIG 1 3.734 3.849 0.546 0.00 0.00 -0.272 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.233 -0.287 1.043 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.148 -0.305 -0.015 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.488 0.039 0.208 0.00 0.00 -0.010 A ATOM 14 C LIG 1 -3.896 0.375 1.509 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -2.986 0.366 2.568 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -1.653 0.028 2.340 0.00 0.00 +0.013 A BRANCH 13 17 ATOM 17 C LIG 1 -4.491 0.015 -0.920 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 O LIG 1 -5.364 -1.089 -0.688 0.00 0.00 -0.487 OA BRANCH 18 19 ATOM 19 C LIG 1 -6.525 -1.148 -1.415 0.00 0.00 +0.133 A ATOM 20 C LIG 1 -7.567 -1.968 -0.935 0.00 0.00 +0.078 A ATOM 21 C LIG 1 -8.768 -2.050 -1.665 0.00 0.00 +0.017 A ATOM 22 C LIG 1 -8.934 -1.346 -2.856 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -7.899 -0.551 -3.335 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -6.701 -0.455 -2.623 0.00 0.00 +0.046 A BRANCH 20 25 ATOM 25 C LIG 1 -7.510 -2.773 0.327 0.00 0.00 +0.245 C ATOM 26 O LIG 1 -8.486 -3.391 0.741 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 -6.336 -2.819 1.019 0.00 0.00 -0.325 N ATOM 28 H LIG 1 -5.500 -2.353 0.682 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 -6.283 -3.397 1.845 0.00 0.00 +0.145 HD ENDBRANCH 20 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 1 31 ATOM 30 C LIG 1 6.205 3.314 -0.527 0.00 0.00 +0.062 C ATOM 31 C LIG 1 5.457 2.180 0.174 0.00 0.00 +0.256 C BRANCH 31 32 ATOM 32 O LIG 1 5.103 1.182 -0.787 0.00 0.00 -0.480 OA BRANCH 32 33 ATOM 33 C LIG 1 5.991 0.184 -1.075 0.00 0.00 +0.122 A ATOM 34 C LIG 1 7.297 0.070 -0.599 0.00 0.00 +0.045 A ATOM 35 C LIG 1 8.088 -1.022 -0.972 0.00 0.00 +0.004 A ATOM 36 C LIG 1 7.579 -2.002 -1.822 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.277 -1.892 -2.303 0.00 0.00 +0.004 A ATOM 38 C LIG 1 5.490 -0.801 -1.932 0.00 0.00 +0.045 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 8