REMARK Name = BDB019590 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.367 -0.278 0.370 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.640 -1.456 -0.338 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.579 -1.471 -1.380 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.254 -0.281 -1.696 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.000 0.908 -0.994 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.056 0.896 0.045 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.862 -2.707 -2.119 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -0.989 -3.243 -3.085 0.00 0.00 -0.040 A ATOM 9 C LIG 1 0.319 -2.585 -3.429 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.343 -4.437 -3.728 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -2.548 -5.043 -3.408 0.00 0.00 +0.111 A ATOM 12 N LIG 1 -3.414 -4.554 -2.500 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 -3.047 -3.408 -1.878 0.00 0.00 +0.119 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 1.236 0.859 1.822 0.00 0.00 -0.306 N ATOM 15 H LIG 1 1.153 1.659 1.209 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 0.641 -0.332 1.467 0.00 0.00 +0.244 C ATOM 17 O LIG 1 0.935 -1.406 1.982 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 2.346 0.895 2.752 0.00 0.00 +0.160 C BRANCH 18 21 ATOM 19 C LIG 1 5.383 -0.623 1.071 0.00 0.00 +0.123 A ATOM 20 C LIG 1 4.184 -0.519 1.767 0.00 0.00 +0.070 A ATOM 21 C LIG 1 3.671 0.750 2.038 0.00 0.00 +0.062 A ATOM 22 N LIG 1 4.287 1.891 1.635 0.00 0.00 -0.258 NA ATOM 23 C LIG 1 5.453 1.758 0.968 0.00 0.00 +0.114 A ATOM 24 C LIG 1 6.033 0.539 0.669 0.00 0.00 +0.065 A BRANCH 19 26 ATOM 25 C LIG 1 5.356 -2.999 1.074 0.00 0.00 +0.277 C ATOM 26 O LIG 1 6.015 -1.786 0.725 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 -2.742 2.180 -1.327 0.00 0.00 +0.139 C BRANCH 27 28 ATOM 28 N LIG 1 -3.732 2.449 -0.305 0.00 0.00 -0.313 N ATOM 29 H LIG 1 -4.687 2.369 -0.626 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.544 3.394 0.640 0.00 0.00 +0.176 C ATOM 31 N LIG 1 -4.637 3.617 1.415 0.00 0.00 -0.316 N ATOM 32 H LIG 1 -5.124 2.768 1.675 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -4.198 4.424 2.536 0.00 0.00 +0.127 C ATOM 34 C LIG 1 -2.851 4.946 2.030 0.00 0.00 +0.163 C ATOM 35 N LIG 1 -2.459 4.060 0.900 0.00 0.00 -0.255 NA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 8