REMARK Name = BDB007815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.136 -1.606 0.445 0.00 0.00 +0.229 A ATOM 2 O LIG 1 1.951 -0.949 0.279 0.00 0.00 -0.434 OA ATOM 3 C LIG 1 0.990 -1.922 0.329 0.00 0.00 +0.168 A ATOM 4 C LIG 1 1.633 -3.139 0.479 0.00 0.00 +0.172 A ATOM 5 N LIG 1 3.001 -2.912 0.564 0.00 0.00 -0.204 NA ENDROOT BRANCH 1 11 ATOM 6 C LIG 1 6.838 0.621 0.414 0.00 0.00 -0.024 A ATOM 7 C LIG 1 5.588 1.273 0.425 0.00 0.00 +0.050 A ATOM 8 C LIG 1 4.359 0.597 0.440 0.00 0.00 +0.012 A ATOM 9 C LIG 1 3.348 1.611 0.464 0.00 0.00 +0.028 A ATOM 10 C LIG 1 3.963 2.840 0.450 0.00 0.00 +0.083 A ATOM 11 C LIG 1 4.366 -0.822 0.436 0.00 0.00 +0.046 A ATOM 12 C LIG 1 5.607 -1.485 0.425 0.00 0.00 +0.014 A ATOM 13 N LIG 1 5.310 2.625 0.423 0.00 0.00 -0.360 N ATOM 14 H LIG 1 6.013 3.351 0.412 0.00 0.00 +0.165 HD ATOM 15 C LIG 1 6.809 -0.782 0.411 0.00 0.00 +0.006 A BRANCH 6 17 ATOM 16 C LIG 1 8.598 1.658 -1.038 0.00 0.00 +0.009 C ATOM 17 C LIG 1 8.161 1.344 0.385 0.00 0.00 +0.034 C ENDBRANCH 6 17 ENDBRANCH 1 11 BRANCH 3 18 ATOM 18 C LIG 1 -0.378 -1.440 0.244 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -0.725 -0.448 -0.678 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -2.044 0.020 -0.770 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -3.061 -0.488 0.049 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -2.690 -1.466 0.986 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -1.374 -1.937 1.086 0.00 0.00 +0.013 A BRANCH 21 24 ATOM 24 N LIG 1 -4.390 -0.044 0.002 0.00 0.00 -0.327 N ATOM 25 C LIG 1 -4.681 1.222 -0.707 0.00 0.00 +0.126 C ATOM 26 C LIG 1 -6.145 1.707 -0.440 0.00 0.00 +0.029 C ATOM 27 C LIG 1 -6.290 2.213 1.009 0.00 0.00 +0.029 C ATOM 28 C LIG 1 -6.451 2.883 -1.387 0.00 0.00 +0.029 C ATOM 29 N LIG 1 -7.156 0.651 -0.725 0.00 0.00 -0.308 NA ATOM 30 H LIG 1 -7.138 0.458 -1.726 0.00 0.00 +0.123 HD ATOM 31 C LIG 1 -6.816 -0.602 -0.023 0.00 0.00 +0.100 C ATOM 32 C LIG 1 -5.380 -1.107 -0.281 0.00 0.00 +0.120 C ENDBRANCH 21 24 ENDBRANCH 3 18 BRANCH 4 33 ATOM 33 C LIG 1 1.067 -4.482 0.532 0.00 0.00 +0.264 C ATOM 34 O LIG 1 1.629 -5.441 1.053 0.00 0.00 -0.269 OA ATOM 35 N LIG 1 -0.142 -4.671 -0.084 0.00 0.00 -0.324 N ATOM 36 H LIG 1 -0.449 -5.631 -0.166 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -0.533 -3.990 -0.720 0.00 0.00 +0.145 HD ENDBRANCH 4 33 TORSDOF 5