REMARK Name = BDB055670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.383 -1.654 -1.900 0.00 0.00 +0.120 C ATOM 2 C LIG 1 0.589 -1.260 -0.822 0.00 0.00 -0.021 A ATOM 3 C LIG 1 1.585 -0.432 -1.356 0.00 0.00 -0.042 A ATOM 4 C LIG 1 2.587 0.091 -0.557 0.00 0.00 +0.012 A ATOM 5 C LIG 1 2.568 -0.193 0.818 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.591 -1.071 1.337 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.393 -0.228 -2.828 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.603 -1.619 0.517 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -0.080 -0.621 -3.005 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.664 -2.730 -1.773 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -1.781 -1.686 -1.497 0.00 0.00 -0.316 N ATOM 12 C LIG 1 -2.508 -0.711 -0.846 0.00 0.00 +0.135 A ATOM 13 C LIG 1 -3.778 -1.227 -0.791 0.00 0.00 +0.096 A ATOM 14 C LIG 1 -4.834 -0.489 -0.217 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -4.573 0.726 0.295 0.00 0.00 +0.092 A ATOM 16 N LIG 1 -3.282 1.260 0.281 0.00 0.00 -0.303 N ATOM 17 C LIG 1 -2.179 0.589 -0.302 0.00 0.00 +0.278 A ATOM 18 O LIG 1 -1.055 1.089 -0.316 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 -3.882 -2.456 -1.338 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 -1.722 -5.027 -1.524 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -2.304 -3.998 -2.480 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 -3.041 2.581 0.852 0.00 0.00 +0.245 C BRANCH 22 23 ATOM 23 C LIG 1 -3.005 3.645 -0.238 0.00 0.00 +0.325 C ATOM 24 O LIG 1 -3.896 3.801 -1.064 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.907 4.434 -0.223 0.00 0.00 -0.479 OA ATOM 26 H LIG 1 -1.198 4.170 0.411 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 3.537 0.444 1.715 0.00 0.00 -0.007 A ATOM 28 C LIG 1 3.368 1.743 2.255 0.00 0.00 +0.028 A ATOM 29 C LIG 1 4.380 2.239 3.107 0.00 0.00 +0.012 A ATOM 30 C LIG 1 5.516 1.492 3.421 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.673 0.221 2.889 0.00 0.00 +0.001 A ATOM 32 C LIG 1 4.693 -0.296 2.046 0.00 0.00 +0.009 A BRANCH 28 33 ATOM 33 C LIG 1 2.218 2.636 2.011 0.00 0.00 +0.180 A ATOM 34 N LIG 1 1.101 2.402 1.246 0.00 0.00 -0.239 N ATOM 35 H LIG 1 0.817 1.591 0.704 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 0.282 3.472 1.271 0.00 0.00 -0.046 NA ATOM 37 N LIG 1 0.885 4.351 2.050 0.00 0.00 -0.023 NA ATOM 38 N LIG 1 2.071 3.855 2.514 0.00 0.00 -0.108 NA ENDBRANCH 28 33 ENDBRANCH 5 27 TORSDOF 7