REMARK Name = BDB029355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.465 -0.267 0.971 0.00 0.00 +0.069 A ATOM 2 N LIG 1 -0.283 -0.821 1.256 0.00 0.00 -0.168 NA ATOM 3 N LIG 1 0.476 -0.629 0.137 0.00 0.00 -0.200 N ATOM 4 C LIG 1 -0.112 0.346 -0.680 0.00 0.00 +0.131 A ATOM 5 C LIG 1 -1.420 0.431 -0.256 0.00 0.00 +0.069 A ENDROOT BRANCH 1 9 ATOM 6 N LIG 1 -4.783 0.350 0.300 0.00 0.00 -0.300 NA ATOM 7 C LIG 1 -4.772 0.934 1.638 0.00 0.00 +0.085 C ATOM 8 C LIG 1 -3.354 0.899 2.220 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -2.611 -0.422 1.940 0.00 0.00 +0.042 C ATOM 10 C LIG 1 -3.588 -1.515 1.494 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -4.463 -1.084 0.309 0.00 0.00 +0.085 C BRANCH 6 13 ATOM 12 C LIG 1 -5.810 0.285 -1.963 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -5.961 0.727 -0.502 0.00 0.00 +0.050 C ATOM 14 C LIG 1 -7.307 0.248 0.058 0.00 0.00 +0.024 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 1.613 -1.472 -0.104 0.00 0.00 +0.156 A ATOM 16 N LIG 1 2.207 -2.072 0.965 0.00 0.00 -0.236 NA ATOM 17 C LIG 1 3.285 -2.849 0.730 0.00 0.00 +0.113 A ATOM 18 C LIG 1 3.800 -3.088 -0.531 0.00 0.00 +0.020 A ATOM 19 C LIG 1 3.164 -2.507 -1.619 0.00 0.00 +0.005 A ATOM 20 C LIG 1 2.051 -1.692 -1.410 0.00 0.00 +0.048 A ENDBRANCH 3 15 BRANCH 4 21 ATOM 21 N LIG 1 0.443 1.074 -1.722 0.00 0.00 -0.266 N ATOM 22 H LIG 1 -0.189 1.466 -2.412 0.00 0.00 +0.157 HD ATOM 23 C LIG 1 1.745 1.509 -1.868 0.00 0.00 +0.249 C ATOM 24 O LIG 1 2.123 1.940 -2.957 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 2.697 1.539 -0.733 0.00 0.00 +0.038 A ATOM 26 C LIG 1 4.018 1.129 -0.970 0.00 0.00 +0.023 A ATOM 27 C LIG 1 4.957 1.118 0.069 0.00 0.00 +0.001 A ATOM 28 C LIG 1 4.555 1.552 1.340 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.251 2.002 1.567 0.00 0.00 +0.001 A ATOM 30 C LIG 1 2.323 2.007 0.529 0.00 0.00 +0.013 A BRANCH 27 31 ATOM 31 C LIG 1 6.322 0.645 -0.152 0.00 0.00 +0.066 A ATOM 32 N LIG 1 6.995 0.775 -1.343 0.00 0.00 -0.277 N ATOM 33 H LIG 1 6.668 1.215 -2.196 0.00 0.00 +0.189 HD ATOM 34 N LIG 1 8.236 0.257 -1.333 0.00 0.00 -0.182 NA ATOM 35 C LIG 1 8.374 -0.197 -0.088 0.00 0.00 +0.135 A ATOM 36 C LIG 1 7.223 0.019 0.689 0.00 0.00 +0.049 A ENDBRANCH 27 31 ENDBRANCH 23 25 ENDBRANCH 4 21 TORSDOF 6