REMARK Name = BDB055479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.409 -2.150 -0.123 0.00 0.00 +0.127 A ATOM 2 N LIG 1 0.293 -2.402 1.192 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 0.930 -1.601 2.047 0.00 0.00 +0.215 A ATOM 4 N LIG 1 1.656 -0.541 1.706 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 1.783 -0.289 0.389 0.00 0.00 +0.078 A ATOM 6 C LIG 1 1.183 -1.092 -0.562 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.594 0.895 0.039 0.00 0.00 +0.003 A ATOM 8 C LIG 1 3.732 1.221 0.806 0.00 0.00 +0.037 A ATOM 9 C LIG 1 4.478 2.351 0.450 0.00 0.00 +0.068 A ATOM 10 C LIG 1 4.150 3.171 -0.622 0.00 0.00 +0.041 A ATOM 11 C LIG 1 5.153 4.176 -0.623 0.00 0.00 +0.146 A ATOM 12 N LIG 1 6.040 4.007 0.352 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 3.010 2.862 -1.383 0.00 0.00 +0.014 A ATOM 14 N LIG 1 5.604 2.909 0.992 0.00 0.00 -0.275 N ATOM 15 H LIG 1 6.125 2.585 1.798 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 2.250 1.731 -1.041 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 5.226 5.183 -1.508 0.00 0.00 -0.341 N ATOM 18 H LIG 1 6.113 5.673 -1.530 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 4.811 5.069 -2.424 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 20 C LIG 1 -2.542 -2.425 -1.819 0.00 0.00 +0.093 C ATOM 21 C LIG 1 -1.027 -2.325 -2.109 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -0.243 -2.986 -1.042 0.00 0.00 -0.313 N ATOM 23 C LIG 1 -0.819 -4.212 -0.461 0.00 0.00 +0.106 C ATOM 24 C LIG 1 -1.818 -4.851 -1.422 0.00 0.00 +0.021 C ATOM 25 C LIG 1 -2.978 -3.899 -1.741 0.00 0.00 +0.025 C BRANCH 20 27 ATOM 26 C LIG 1 -2.865 -0.352 -0.539 0.00 0.00 +0.401 C ATOM 27 N LIG 1 -2.887 -1.715 -0.590 0.00 0.00 -0.277 N ATOM 28 H LIG 1 -2.633 -2.134 0.296 0.00 0.00 +0.152 HD ATOM 29 O LIG 1 -2.803 0.379 -1.515 0.00 0.00 -0.226 OA BRANCH 26 30 ATOM 30 O LIG 1 -2.880 0.032 0.755 0.00 0.00 -0.445 OA BRANCH 30 32 ATOM 31 C LIG 1 -2.861 1.447 2.650 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -2.819 1.436 1.114 0.00 0.00 +0.107 C ATOM 33 C LIG 1 -1.502 2.073 0.659 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -4.037 2.200 0.584 0.00 0.00 +0.055 C ENDBRANCH 30 32 ENDBRANCH 26 30 ENDBRANCH 20 27 ENDBRANCH 1 22 BRANCH 3 35 ATOM 35 N LIG 1 0.777 -1.856 3.395 0.00 0.00 -0.327 N ATOM 36 H LIG 1 0.914 -1.001 3.915 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -0.083 -2.361 3.550 0.00 0.00 +0.145 HD ENDBRANCH 3 35 TORSDOF 7