REMARK Name = BDB010673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.275 -0.715 0.110 0.00 0.00 -0.309 N ATOM 2 C LIG 1 -0.792 -1.418 0.632 0.00 0.00 +0.111 A ATOM 3 C LIG 1 -0.242 -2.661 0.927 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.926 -3.700 1.433 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -2.215 -3.407 1.639 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -2.840 -2.236 1.410 0.00 0.00 -0.227 NA ATOM 7 N LIG 1 1.094 -2.708 0.670 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -2.145 -1.184 0.895 0.00 0.00 +0.074 A ATOM 9 C LIG 1 1.400 -1.512 0.232 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.031 -4.508 2.199 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.449 -5.693 2.449 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.484 -5.939 2.300 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.398 -6.496 2.946 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.245 -7.655 3.295 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.577 -5.795 2.998 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.290 -4.484 2.495 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.920 0.104 0.717 0.00 0.00 +0.040 C ATOM 18 C LIG 1 -4.162 -0.089 -0.178 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -5.452 -0.203 0.628 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -5.697 1.033 1.495 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -4.412 1.705 1.984 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -3.259 0.715 2.091 0.00 0.00 +0.010 C ENDBRANCH 8 17 BRANCH 9 23 ATOM 23 N LIG 1 2.643 -1.056 -0.087 0.00 0.00 -0.289 N ATOM 24 C LIG 1 3.465 -0.655 1.102 0.00 0.00 +0.132 C ATOM 25 C LIG 1 4.968 -1.029 0.938 0.00 0.00 +0.187 C ATOM 26 O LIG 1 5.508 -0.769 -0.365 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 4.691 -1.278 -1.429 0.00 0.00 +0.179 C ATOM 28 C LIG 1 3.393 -1.964 -0.980 0.00 0.00 +0.136 C BRANCH 24 29 ATOM 29 C LIG 1 3.250 0.828 1.387 0.00 0.00 -0.025 A ATOM 30 C LIG 1 3.814 1.830 0.582 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.565 3.179 0.841 0.00 0.00 +0.000 A ATOM 32 C LIG 1 2.747 3.546 1.908 0.00 0.00 +0.000 A ATOM 33 C LIG 1 2.178 2.566 2.717 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.424 1.216 2.457 0.00 0.00 +0.005 A ENDBRANCH 24 29 ENDBRANCH 9 23 BRANCH 1 35 ATOM 35 C LIG 1 0.259 0.620 -0.465 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 2.477 3.211 -3.988 0.00 0.00 +0.007 C ATOM 37 C LIG 1 1.665 2.276 -3.094 0.00 0.00 -0.014 C ATOM 38 C LIG 1 1.156 1.065 -3.876 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.417 0.068 -2.977 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.419 0.713 -1.852 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -0.740 2.174 -2.192 0.00 0.00 +0.005 C ATOM 42 C LIG 1 0.508 3.032 -2.418 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6