REMARK Name = BDB056115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.743 0.445 -1.042 0.00 0.00 -0.328 N ATOM 2 H LIG 1 -3.263 -0.422 -0.980 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -3.281 1.504 -0.323 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -4.594 1.494 0.178 0.00 0.00 +0.088 A ATOM 5 C LIG 1 -5.021 2.646 0.818 0.00 0.00 +0.233 A ATOM 6 O LIG 1 -6.312 2.510 1.216 0.00 0.00 -0.436 OA ATOM 7 C LIG 1 -6.740 1.262 0.854 0.00 0.00 +0.146 A ATOM 8 N LIG 1 -4.317 3.763 1.038 0.00 0.00 -0.200 NA ATOM 9 C LIG 1 -3.080 3.659 0.545 0.00 0.00 +0.227 A ATOM 10 C LIG 1 -5.703 0.591 0.220 0.00 0.00 +0.041 A ATOM 11 N LIG 1 -2.535 2.614 -0.104 0.00 0.00 -0.220 NA BRANCH 7 12 ATOM 12 C LIG 1 -8.125 0.965 1.223 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -8.542 -0.337 1.533 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -9.871 -0.604 1.876 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -10.803 0.430 1.920 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -10.407 1.731 1.623 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -9.079 1.995 1.279 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 10 18 ATOM 18 C LIG 1 -5.791 -0.758 -0.298 0.00 0.00 -0.014 A ATOM 19 C LIG 1 -6.509 -1.021 -1.468 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -6.574 -2.322 -1.969 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.920 -3.360 -1.305 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.200 -3.102 -0.139 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.134 -1.802 0.365 0.00 0.00 +0.008 A ENDBRANCH 10 18 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -1.293 0.316 -1.108 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 -0.714 -0.213 0.209 0.00 0.00 +0.054 C BRANCH 25 29 ATOM 26 C LIG 1 3.561 -0.840 -0.078 0.00 0.00 +0.035 A ATOM 27 C LIG 1 2.669 -1.895 -0.311 0.00 0.00 +0.023 A ATOM 28 C LIG 1 1.288 -1.698 -0.213 0.00 0.00 +0.005 A ATOM 29 C LIG 1 0.774 -0.441 0.119 0.00 0.00 -0.046 A ATOM 30 C LIG 1 1.665 0.615 0.340 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.047 0.416 0.242 0.00 0.00 +0.023 A BRANCH 26 36 ATOM 32 O LIG 1 5.933 0.802 0.660 0.00 0.00 -0.253 OA ATOM 33 C LIG 1 5.992 -0.290 0.115 0.00 0.00 +0.304 C ATOM 34 N LIG 1 7.190 -0.879 -0.253 0.00 0.00 -0.296 N ATOM 35 H LIG 1 7.134 -1.475 -1.065 0.00 0.00 +0.151 HD ATOM 36 N LIG 1 4.936 -1.116 -0.206 0.00 0.00 -0.269 N ATOM 37 H LIG 1 5.187 -2.071 -0.411 0.00 0.00 +0.156 HD BRANCH 34 38 ATOM 38 C LIG 1 8.452 -0.172 -0.066 0.00 0.00 +0.074 C ATOM 39 C LIG 1 8.663 0.881 -1.163 0.00 0.00 +0.022 C ATOM 40 C LIG 1 10.015 1.577 -1.025 0.00 0.00 +0.002 C ATOM 41 C LIG 1 11.164 0.575 -0.990 0.00 0.00 +0.000 C ATOM 42 C LIG 1 10.961 -0.474 0.099 0.00 0.00 +0.002 C ATOM 43 C LIG 1 9.612 -1.174 -0.040 0.00 0.00 +0.022 C ENDBRANCH 34 38 ENDBRANCH 26 36 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8