REMARK Name = BDB015192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.567 0.618 -1.994 0.00 0.00 -0.327 N ATOM 2 H LIG 1 -0.982 1.265 -2.668 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 3.051 0.833 -1.197 0.00 0.00 -0.013 A ATOM 4 C LIG 1 1.723 0.388 -1.180 0.00 0.00 +0.052 A ATOM 5 C LIG 1 0.774 1.008 -1.985 0.00 0.00 +0.119 A ATOM 6 N LIG 1 1.074 2.050 -2.780 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 2.356 2.473 -2.792 0.00 0.00 +0.113 A ATOM 8 C LIG 1 3.364 1.907 -2.033 0.00 0.00 +0.028 A BRANCH 3 15 ATOM 9 C LIG 1 6.701 2.188 2.752 0.00 0.00 +0.149 C ATOM 10 N LIG 1 6.644 0.810 2.321 0.00 0.00 -0.350 N ATOM 11 C LIG 1 5.793 0.319 1.351 0.00 0.00 +0.049 A ATOM 12 C LIG 1 6.050 -1.049 1.243 0.00 0.00 -0.000 A ATOM 13 C LIG 1 5.309 -1.809 0.320 0.00 0.00 +0.010 A ATOM 14 C LIG 1 4.335 -1.179 -0.466 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.079 0.196 -0.359 0.00 0.00 -0.016 A ATOM 16 C LIG 1 7.082 -1.360 2.170 0.00 0.00 +0.027 A ATOM 17 C LIG 1 4.819 0.958 0.564 0.00 0.00 +0.035 A ATOM 18 C LIG 1 7.428 -0.197 2.819 0.00 0.00 +0.086 A ENDBRANCH 3 15 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -0.776 -0.772 -2.407 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 C LIG 1 -2.275 -1.120 -2.409 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 -2.462 -2.408 -3.016 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -3.314 -2.728 -2.653 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 -2.861 -1.158 -0.979 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 -4.239 -1.713 -0.965 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 -4.675 -2.001 0.419 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -5.079 -0.789 1.231 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -5.489 0.400 0.602 0.00 0.00 -0.042 A ATOM 28 C LIG 1 -5.891 1.496 1.378 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.909 1.405 2.769 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.521 0.222 3.395 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.435 0.522 -0.900 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -5.112 -0.871 2.631 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.240 -0.832 -1.598 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7