REMARK Name = BDB025014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.343 0.283 -0.135 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.167 0.946 -0.528 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.321 2.341 -0.992 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.002 2.403 -2.369 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.012 3.143 -1.077 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.089 2.784 0.068 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.792 1.317 -0.042 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.498 0.797 0.166 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.339 1.464 0.467 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -0.595 0.547 0.559 0.00 0.00 +0.200 A ATOM 11 N LIG 1 -0.089 -0.716 0.316 0.00 0.00 -0.309 N ATOM 12 C LIG 1 1.266 -0.569 0.060 0.00 0.00 +0.071 A ATOM 13 C LIG 1 2.283 -1.470 -0.266 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.567 -0.946 -0.460 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.845 0.422 -0.335 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.470 0.741 -0.311 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.804 -1.989 0.218 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.806 -2.302 1.349 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.258 -2.167 0.882 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.578 -3.122 -0.271 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.395 -3.337 -1.218 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.407 -2.175 -1.187 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.222 -2.375 2.030 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.094 -3.235 2.888 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.274 -1.525 2.009 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.249 -0.870 1.282 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.328 -1.533 0.985 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.138 -0.891 0.529 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -1.905 0.774 0.867 0.00 0.00 -0.300 N ATOM 30 C LIG 1 -2.067 1.112 2.296 0.00 0.00 +0.132 C BRANCH 29 31 ATOM 31 C LIG 1 -2.522 1.800 -0.011 0.00 0.00 +0.142 C BRANCH 31 32 ATOM 32 C LIG 1 -4.001 1.519 -0.199 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -4.954 2.034 0.691 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -6.309 1.738 0.530 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.727 0.928 -0.524 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.793 0.419 -1.422 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.438 0.714 -1.263 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7