REMARK Name = BDB015991 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.752 -1.853 -1.152 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.763 -1.219 -0.494 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.480 -1.740 -0.538 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.758 -2.900 -1.263 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.329 -3.471 -1.903 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.584 -2.982 -1.860 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.623 0.524 -0.334 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.343 -0.047 -0.415 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.106 -1.268 -1.082 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.214 -1.902 -1.673 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.495 -1.349 -1.598 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.698 -0.143 -0.929 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 3.967 5.091 1.498 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.527 3.806 1.156 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.770 3.496 1.562 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.959 2.266 1.075 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.838 1.782 0.360 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.929 2.817 0.431 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.081 -3.487 -1.379 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.349 -4.841 -1.376 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -3.704 -4.963 -1.497 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.468 -6.186 -1.541 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.342 -3.783 -1.574 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.355 -2.885 -1.510 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.512 -1.076 0.155 0.00 0.00 -0.325 N ATOM 26 H LIG 1 -1.996 -1.759 0.734 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.158 0.138 0.900 0.00 0.00 +0.078 C ATOM 28 C LIG 1 -1.015 1.364 -0.028 0.00 0.00 +0.011 C ATOM 29 C LIG 1 -2.337 1.633 -0.784 0.00 0.00 +0.023 C ATOM 30 C LIG 1 -3.529 1.834 0.160 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -3.616 0.726 1.216 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -0.575 2.609 0.776 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -0.615 2.422 2.294 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -1.859 1.685 2.792 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -2.266 0.470 1.926 0.00 0.00 +0.011 C BRANCH 30 36 ATOM 36 N LIG 1 -4.772 1.894 -0.606 0.00 0.00 -0.327 NA ATOM 37 H LIG 1 -4.731 2.659 -1.277 0.00 0.00 +0.118 HD ATOM 38 H LIG 1 -5.556 2.088 0.015 0.00 0.00 +0.118 HD ENDBRANCH 30 36 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6