REMARK Name = BDB025235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.497 -0.542 -0.358 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.281 -1.240 -0.345 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.373 -2.688 -0.587 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.161 -3.021 -2.067 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.446 -3.456 0.350 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.007 -3.027 0.155 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.861 -1.532 0.082 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.577 -0.958 0.234 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.388 -1.579 0.497 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 0.538 -0.636 0.541 0.00 0.00 +0.120 A ATOM 11 N LIG 1 -0.025 0.609 0.317 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.390 0.408 0.120 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.450 1.271 -0.160 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.722 0.701 -0.316 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.964 -0.675 -0.178 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.549 -1.025 -0.772 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.566 1.951 0.277 0.00 0.00 +0.090 C ATOM 18 C LIG 1 1.824 2.199 1.129 0.00 0.00 +0.039 C ATOM 19 C LIG 1 2.307 3.660 1.087 0.00 0.00 +0.100 C ATOM 20 C LIG 1 2.451 4.159 -0.355 0.00 0.00 +0.015 C ATOM 21 C LIG 1 1.199 3.913 -1.193 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.776 2.446 -1.164 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 1.425 4.576 1.912 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.371 4.289 2.451 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 1.942 5.812 2.041 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 1.294 6.290 2.600 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.698 1.381 0.254 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.445 0.698 0.205 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.957 -0.964 0.881 0.00 0.00 +0.170 C BRANCH 29 30 ATOM 30 C LIG 1 2.897 -0.864 -0.311 0.00 0.00 +0.223 C ATOM 31 N LIG 1 4.186 -1.391 -0.140 0.00 0.00 -0.301 N ATOM 32 C LIG 1 5.132 -1.202 -1.242 0.00 0.00 +0.108 C ATOM 33 C LIG 1 6.187 -2.302 -1.297 0.00 0.00 +0.019 C ATOM 34 C LIG 1 6.873 -2.482 0.052 0.00 0.00 +0.003 C ATOM 35 C LIG 1 5.836 -2.740 1.138 0.00 0.00 +0.019 C ATOM 36 C LIG 1 4.782 -1.637 1.176 0.00 0.00 +0.108 C ATOM 37 O LIG 1 2.564 -0.327 -1.368 0.00 0.00 -0.275 OA ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6