REMARK Name = BDB061345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.552 0.781 0.284 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.874 -0.239 -0.615 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.853 -1.029 -1.125 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.982 -2.195 -2.056 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.534 -2.369 -2.545 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.635 -1.846 -1.415 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.307 -1.333 -1.902 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.104 -0.475 -2.748 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.636 -2.020 -1.212 0.00 0.00 -0.195 N ATOM 10 C LIG 1 -0.065 -2.916 -0.381 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.652 -3.686 0.363 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.293 -2.890 -0.505 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.521 -0.834 -0.746 0.00 0.00 +0.008 A ATOM 14 C LIG 1 2.186 0.159 0.160 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.209 0.968 0.668 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 8.896 2.837 1.283 0.00 0.00 +0.129 C ATOM 17 N LIG 1 7.475 2.623 1.412 0.00 0.00 -0.302 N ATOM 18 H LIG 1 7.114 2.611 2.354 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 6.845 1.746 0.547 0.00 0.00 +0.304 C ATOM 20 N LIG 1 5.509 1.636 0.866 0.00 0.00 -0.269 N ATOM 21 H LIG 1 5.157 2.355 1.480 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 7.435 1.183 -0.365 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -2.052 -1.737 -1.267 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.376 -0.598 -0.289 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.659 -0.049 -0.348 0.00 0.00 -0.289 N ATOM 26 C LIG 1 -4.051 0.959 0.651 0.00 0.00 +0.117 C ATOM 27 C LIG 1 -4.119 0.360 2.073 0.00 0.00 +0.251 C ATOM 28 O LIG 1 -4.406 -1.049 2.132 0.00 0.00 -0.489 OA ATOM 29 C LIG 1 -5.525 -1.426 1.469 0.00 0.00 +0.132 A ATOM 30 C LIG 1 -5.689 -1.331 0.099 0.00 0.00 +0.049 A ATOM 31 S LIG 1 -7.205 -1.985 -0.381 0.00 0.00 -0.096 S ATOM 32 C LIG 1 -7.598 -2.431 1.222 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -6.604 -2.089 2.111 0.00 0.00 +0.053 A ATOM 34 C LIG 1 -4.790 -0.749 -0.957 0.00 0.00 +0.154 C ATOM 35 O LIG 1 -1.518 -0.185 0.497 0.00 0.00 -0.274 OA BRANCH 26 36 ATOM 36 C LIG 1 -3.196 2.202 0.569 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -3.285 3.109 -0.634 0.00 0.00 +0.006 C ATOM 38 C LIG 1 -3.814 3.574 0.694 0.00 0.00 +0.006 C ENDBRANCH 26 36 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4