REMARK Name = BDB010507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.754 -1.950 0.961 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.409 -1.643 0.714 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.430 -2.617 0.195 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.694 -2.158 0.018 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.709 -0.912 0.464 0.00 0.00 +0.162 A ATOM 6 N LIG 1 0.057 -3.868 -0.104 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.224 -4.091 0.180 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.427 -0.545 0.869 0.00 0.00 -0.318 N ATOM 9 N LIG 1 -2.132 -3.218 0.694 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.933 -0.090 0.490 0.00 0.00 +0.107 A ATOM 11 N LIG 1 2.918 1.028 1.247 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 4.053 1.758 1.281 0.00 0.00 +0.112 A ATOM 13 C LIG 1 5.213 1.433 0.592 0.00 0.00 +0.024 A ATOM 14 C LIG 1 5.242 0.276 -0.192 0.00 0.00 -0.038 A ATOM 15 C LIG 1 4.063 -0.490 -0.226 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.481 -0.171 -0.984 0.00 0.00 -0.013 C ATOM 17 C LIG 1 6.136 -0.254 -2.486 0.00 0.00 +0.015 C ATOM 18 C LIG 1 7.686 0.787 -0.843 0.00 0.00 +0.015 C ATOM 19 C LIG 1 6.940 -1.559 -0.490 0.00 0.00 +0.015 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -2.669 -1.044 1.448 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.512 -0.094 1.143 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -4.278 -2.539 2.644 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -4.073 -1.308 1.764 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -5.029 -1.314 0.569 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -5.091 -0.033 -0.312 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.511 -0.951 -1.479 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -4.754 -2.086 -0.756 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -1.781 -5.455 -0.133 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -1.164 -6.409 -0.571 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -3.118 -5.496 0.135 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -3.400 -4.615 0.474 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.043 0.756 1.389 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 -0.058 1.879 0.331 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -0.537 3.191 0.986 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -2.039 3.402 0.820 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -2.452 3.487 -0.661 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -2.572 4.938 -1.127 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.495 2.712 -1.584 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.923 1.486 -0.883 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9