REMARK Name = BDB026523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.135 -1.809 -1.899 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.963 -1.188 -0.971 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -1.335 -0.028 -1.010 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.276 -2.129 0.001 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.612 -3.396 -0.243 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.291 -3.113 -1.439 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.584 -1.080 -2.928 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 4.460 0.177 -1.604 0.00 0.00 +0.052 A ATOM 9 C LIG 1 4.239 -0.919 -2.438 0.00 0.00 +0.134 A ATOM 10 N LIG 1 3.025 -1.332 -2.875 0.00 0.00 -0.256 NA ATOM 11 C LIG 1 1.948 -0.610 -2.473 0.00 0.00 +0.059 A ATOM 12 C LIG 1 2.070 0.498 -1.638 0.00 0.00 +0.027 A ATOM 13 C LIG 1 3.337 0.892 -1.202 0.00 0.00 +0.026 A BRANCH 8 16 ATOM 14 O LIG 1 5.485 2.330 0.158 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 6.206 1.507 -0.392 0.00 0.00 +0.220 C ATOM 16 N LIG 1 5.785 0.481 -1.226 0.00 0.00 -0.284 N ATOM 17 H LIG 1 6.503 -0.132 -1.586 0.00 0.00 +0.155 HD BRANCH 15 18 ATOM 18 C LIG 1 7.727 1.510 -0.219 0.00 0.00 +0.075 C ATOM 19 C LIG 1 8.243 2.716 0.576 0.00 0.00 +0.013 C ATOM 20 C LIG 1 8.442 2.188 1.988 0.00 0.00 +0.001 C ATOM 21 C LIG 1 9.001 0.797 1.748 0.00 0.00 +0.001 C ATOM 22 C LIG 1 8.197 0.269 0.564 0.00 0.00 +0.013 C ENDBRANCH 15 18 ENDBRANCH 8 16 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -2.103 -1.886 1.179 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 C LIG 1 -3.616 -2.079 0.945 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.844 -3.247 0.139 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -3.367 -3.081 -0.695 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.318 -0.861 0.301 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -4.302 0.339 1.159 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.375 0.330 2.171 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.752 0.696 1.653 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.909 1.419 0.456 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.193 1.773 0.020 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.314 1.431 0.777 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.161 0.732 1.973 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.706 1.761 -0.386 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.887 0.367 2.409 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.384 1.583 0.374 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 9