REMARK Name = BDB039116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.438 1.309 0.509 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.483 0.535 -0.127 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.096 0.722 0.283 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.079 0.061 -0.614 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.461 -0.731 -1.722 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.495 -1.321 -2.551 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.129 -1.173 -2.301 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.765 -0.405 -1.192 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.452 -0.055 -0.648 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.221 0.731 0.462 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.074 0.887 0.650 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.925 -0.891 -2.052 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.699 0.202 -0.361 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.806 -0.705 -0.820 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.176 2.230 1.274 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 1.296 1.332 1.327 0.00 0.00 +0.055 C ATOM 17 C LIG 1 0.903 1.303 2.810 0.00 0.00 +0.011 C ATOM 18 C LIG 1 2.039 1.804 3.705 0.00 0.00 +0.001 C ATOM 19 C LIG 1 2.935 2.845 3.031 0.00 0.00 +0.000 C ATOM 20 C LIG 1 2.177 3.654 1.988 0.00 0.00 +0.001 C ATOM 21 C LIG 1 1.617 2.768 0.872 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -8.722 1.723 0.821 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -7.709 0.938 0.191 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.750 -0.472 -1.156 0.00 0.00 +0.159 C BRANCH 24 25 ATOM 25 C LIG 1 2.239 -1.754 -0.465 0.00 0.00 +0.164 C BRANCH 25 26 ATOM 26 C LIG 1 3.722 -1.957 -0.695 0.00 0.00 -0.017 A ATOM 27 C LIG 1 4.208 -2.381 -1.942 0.00 0.00 +0.021 A ATOM 28 C LIG 1 5.582 -2.547 -2.146 0.00 0.00 +0.059 A ATOM 29 C LIG 1 6.489 -2.264 -1.119 0.00 0.00 +0.015 A ATOM 30 C LIG 1 6.014 -1.840 0.121 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.641 -1.690 0.333 0.00 0.00 +0.006 A BRANCH 28 32 ATOM 32 C LIG 1 6.049 -2.988 -3.477 0.00 0.00 +0.337 C ATOM 33 O LIG 1 5.605 -2.543 -4.520 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 6.988 -3.955 -3.406 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 7.111 -4.328 -2.512 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 25 26 BRANCH 25 36 ATOM 36 O LIG 1 1.556 -2.902 -0.973 0.00 0.00 -0.385 OA ATOM 37 H LIG 1 0.632 -2.850 -0.664 0.00 0.00 +0.210 HD ENDBRANCH 25 36 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8