REMARK Name = BDB021428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.588 -0.513 0.199 0.00 0.00 -0.019 A ATOM 2 C LIG 1 2.995 0.754 0.258 0.00 0.00 +0.054 A ATOM 3 C LIG 1 1.603 0.948 0.137 0.00 0.00 +0.133 A ATOM 4 O LIG 1 1.285 2.272 0.238 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.082 2.641 0.307 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -0.822 2.221 -0.949 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.402 0.897 -0.786 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.713 -0.177 -0.238 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.327 -1.196 0.095 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.770 -0.158 -0.061 0.00 0.00 +0.078 A ATOM 11 C LIG 1 1.369 -1.436 -0.104 0.00 0.00 +0.017 A ATOM 12 C LIG 1 2.750 -1.612 0.024 0.00 0.00 +0.009 A ENDROOT BRANCH 1 16 ATOM 13 N LIG 1 7.938 -0.693 0.511 0.00 0.00 -0.296 NA ATOM 14 C LIG 1 7.156 -0.415 1.730 0.00 0.00 +0.089 C ATOM 15 C LIG 1 5.764 0.147 1.389 0.00 0.00 +0.051 C ATOM 16 C LIG 1 5.048 -0.678 0.351 0.00 0.00 -0.042 C ATOM 17 C LIG 1 5.753 -1.532 -0.411 0.00 0.00 -0.008 C ATOM 18 C LIG 1 7.243 -1.713 -0.299 0.00 0.00 +0.112 C BRANCH 13 20 ATOM 19 C LIG 1 10.135 -1.424 -0.465 0.00 0.00 +0.024 C ATOM 20 C LIG 1 9.340 -1.083 0.809 0.00 0.00 +0.051 C ATOM 21 C LIG 1 10.105 0.033 1.540 0.00 0.00 +0.024 C ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 7 22 ATOM 22 C LIG 1 -2.834 0.737 -1.101 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.734 0.954 0.133 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -3.674 -0.143 1.054 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.871 -0.666 0.837 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -5.206 1.236 -0.256 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.799 0.329 -1.263 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -7.133 0.802 -1.688 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -8.256 0.534 -0.708 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -8.148 -0.486 0.254 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -9.215 -0.737 1.126 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -10.393 0.004 1.030 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -10.511 1.002 0.066 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.864 -1.269 0.391 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -9.450 1.264 -0.802 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.922 -1.069 -0.806 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 7