REMARK Name = BDB024901 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.811 0.359 -0.100 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.636 0.937 -0.606 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.807 2.042 -1.573 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.302 3.319 -0.871 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.548 2.398 -2.384 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.725 1.161 -2.679 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.334 0.565 -1.356 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.032 0.081 -1.102 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.051 0.041 -1.943 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 1.023 -0.520 -1.252 0.00 0.00 +0.155 A ATOM 11 N LIG 1 0.624 -0.787 0.041 0.00 0.00 -0.321 N ATOM 12 C LIG 1 -0.715 -0.461 0.140 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.664 -0.572 1.160 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.955 -0.095 0.897 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.311 0.456 -0.341 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.936 0.790 -0.344 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 1.475 -1.314 1.099 0.00 0.00 +0.090 C ATOM 18 C LIG 1 1.520 -0.434 2.359 0.00 0.00 +0.039 C ATOM 19 C LIG 1 2.578 -0.923 3.364 0.00 0.00 +0.100 C ATOM 20 C LIG 1 3.060 -2.355 3.098 0.00 0.00 +0.015 C ATOM 21 C LIG 1 1.905 -3.267 2.689 0.00 0.00 +0.003 C ATOM 22 C LIG 1 1.176 -2.783 1.433 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 3.779 -0.011 3.544 0.00 0.00 +0.308 C ATOM 24 O LIG 1 4.365 0.085 4.617 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 4.213 0.645 2.453 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 3.725 0.543 1.606 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 2.419 -0.907 -1.929 0.00 0.00 +0.169 C ATOM 28 C LIG 1 2.525 -0.761 -3.438 0.00 0.00 +0.060 C ATOM 29 C LIG 1 2.325 -2.120 -2.847 0.00 0.00 +0.060 C BRANCH 27 30 ATOM 30 O LIG 1 3.692 -0.853 -1.222 0.00 0.00 -0.462 OA BRANCH 30 31 ATOM 31 C LIG 1 4.139 0.436 -1.028 0.00 0.00 +0.216 A ATOM 32 N LIG 1 3.385 1.252 -0.255 0.00 0.00 -0.221 NA ATOM 33 C LIG 1 3.848 2.517 -0.105 0.00 0.00 +0.114 A ATOM 34 C LIG 1 5.063 2.960 -0.607 0.00 0.00 +0.020 A ATOM 35 C LIG 1 5.853 2.063 -1.324 0.00 0.00 +0.007 A ATOM 36 C LIG 1 5.384 0.771 -1.541 0.00 0.00 +0.067 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 38 ATOM 37 C LIG 1 -6.814 -1.387 1.114 0.00 0.00 +0.282 C ATOM 38 O LIG 1 -5.615 -0.767 0.647 0.00 0.00 -0.453 OA ENDBRANCH 1 38 TORSDOF 7