REMARK Name = BDB024998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.936 -1.661 0.410 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.111 -0.567 0.115 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.806 0.689 -0.207 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.991 0.852 -1.719 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.117 1.878 0.454 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.679 1.992 -0.006 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.969 0.666 0.002 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.557 0.641 -0.074 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.687 1.691 -0.108 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.537 1.194 -0.161 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.484 -0.193 -0.203 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.863 -0.553 -0.125 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.528 -1.781 -0.104 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.929 -1.757 -0.033 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.670 -0.567 0.045 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.146 -1.673 0.189 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.535 -1.206 -0.264 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.648 -1.016 -1.296 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.462 -2.305 -1.471 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.693 -3.075 -0.158 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.486 -2.183 1.074 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.076 -1.588 1.125 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -5.080 -3.698 -0.147 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.997 -3.352 0.580 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.211 -4.707 -1.039 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.408 -4.897 -1.558 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.165 -3.773 1.411 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.308 -2.691 1.044 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.715 2.143 -0.157 0.00 0.00 +0.058 C ATOM 30 C LIG 1 -2.283 2.380 -1.558 0.00 0.00 +0.016 C BRANCH 29 31 ATOM 31 C LIG 1 -2.743 1.864 0.944 0.00 0.00 +0.068 C BRANCH 31 32 ATOM 32 C LIG 1 -3.720 2.991 1.139 0.00 0.00 +0.060 A ATOM 33 N LIG 1 -4.927 2.882 0.530 0.00 0.00 -0.257 NA ATOM 34 C LIG 1 -5.777 3.918 0.720 0.00 0.00 +0.130 A ATOM 35 C LIG 1 -5.440 5.025 1.479 0.00 0.00 +0.130 A ATOM 36 N LIG 1 -4.239 5.148 2.084 0.00 0.00 -0.260 NA ATOM 37 C LIG 1 -3.389 4.111 1.898 0.00 0.00 +0.134 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7