REMARK Name = BDB019592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.319 -1.336 -0.047 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.992 -2.517 -0.392 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.861 -2.569 -1.494 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.043 -1.398 -2.250 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.383 -0.203 -1.920 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.526 -0.181 -0.808 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.568 -3.812 -1.842 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -3.338 -4.496 -0.892 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -4.000 -5.667 -1.254 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -4.836 -6.399 -0.247 0.00 0.00 +0.065 C ATOM 11 N LIG 1 -3.934 -6.185 -2.502 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -3.185 -5.522 -3.406 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -2.497 -4.352 -3.130 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 1.528 -0.377 1.229 0.00 0.00 -0.306 N ATOM 15 H LIG 1 1.720 0.259 0.464 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 0.573 -1.358 1.148 0.00 0.00 +0.244 C ATOM 17 O LIG 1 0.451 -2.237 1.996 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 2.493 -0.342 2.306 0.00 0.00 +0.160 C BRANCH 18 21 ATOM 19 C LIG 1 5.183 2.223 3.046 0.00 0.00 +0.123 A ATOM 20 C LIG 1 4.311 1.147 3.199 0.00 0.00 +0.070 A ATOM 21 C LIG 1 3.435 0.833 2.166 0.00 0.00 +0.062 A ATOM 22 N LIG 1 3.404 1.536 1.001 0.00 0.00 -0.258 NA ATOM 23 C LIG 1 4.255 2.577 0.883 0.00 0.00 +0.114 A ATOM 24 C LIG 1 5.154 2.956 1.866 0.00 0.00 +0.065 A BRANCH 19 26 ATOM 25 C LIG 1 6.958 3.500 3.982 0.00 0.00 +0.277 C ATOM 26 O LIG 1 6.005 2.452 4.116 0.00 0.00 -0.495 OA ENDBRANCH 19 26 ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 27 ATOM 27 C LIG 1 -1.611 1.059 -2.716 0.00 0.00 +0.139 C BRANCH 27 28 ATOM 28 N LIG 1 -2.429 1.968 -1.946 0.00 0.00 -0.313 N ATOM 29 H LIG 1 -3.407 1.980 -2.201 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 -1.948 3.117 -1.431 0.00 0.00 +0.176 C ATOM 31 N LIG 1 -2.890 3.883 -0.820 0.00 0.00 -0.316 N ATOM 32 H LIG 1 -3.552 3.343 -0.275 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -2.179 4.900 -0.071 0.00 0.00 +0.127 C ATOM 34 C LIG 1 -0.791 4.841 -0.715 0.00 0.00 +0.163 C ATOM 35 N LIG 1 -0.717 3.533 -1.421 0.00 0.00 -0.255 NA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 8