REMARK Name = BDB025194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.429 -0.410 -1.174 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.543 -0.730 -0.128 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.068 -1.719 0.833 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.109 -3.123 0.206 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.323 -1.724 2.164 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.843 -1.932 1.929 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.329 -0.883 0.986 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.977 -0.475 1.071 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.008 -0.943 1.906 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 1.081 -0.247 1.606 0.00 0.00 +0.155 A ATOM 11 N LIG 1 0.838 0.658 0.600 0.00 0.00 -0.321 N ATOM 12 C LIG 1 -0.490 0.535 0.250 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.309 1.194 -0.663 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.645 0.770 -0.752 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.171 -0.287 0.010 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.630 -0.674 -1.139 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 1.834 1.542 0.008 0.00 0.00 +0.089 C ATOM 18 C LIG 1 1.554 3.029 0.278 0.00 0.00 +0.026 C ATOM 19 C LIG 1 2.179 3.962 -0.767 0.00 0.00 +0.017 C ATOM 20 C LIG 1 3.468 3.428 -1.403 0.00 0.00 +0.098 C ATOM 21 C LIG 1 3.306 2.015 -1.989 0.00 0.00 +0.017 C ATOM 22 C LIG 1 2.070 1.268 -1.481 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 4.626 3.471 -0.425 0.00 0.00 +0.308 C ATOM 24 O LIG 1 4.559 3.480 0.792 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 5.821 3.483 -1.047 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 6.475 3.483 -0.316 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 2.474 -0.496 2.317 0.00 0.00 +0.169 C ATOM 28 C LIG 1 2.797 0.473 3.440 0.00 0.00 +0.060 C ATOM 29 C LIG 1 2.457 -0.948 3.763 0.00 0.00 +0.060 C BRANCH 27 30 ATOM 30 O LIG 1 3.648 -0.903 1.568 0.00 0.00 -0.461 OA BRANCH 30 31 ATOM 31 C LIG 1 3.453 -1.930 0.683 0.00 0.00 +0.234 A ATOM 32 N LIG 1 4.119 -1.788 -0.488 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 3.978 -2.809 -1.365 0.00 0.00 +0.134 A ATOM 34 C LIG 1 3.216 -3.932 -1.088 0.00 0.00 +0.130 A ATOM 35 N LIG 1 2.560 -4.088 0.082 0.00 0.00 -0.256 NA ATOM 36 C LIG 1 2.694 -3.061 0.961 0.00 0.00 +0.177 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 38 ATOM 37 C LIG 1 -5.750 0.403 -3.354 0.00 0.00 +0.282 C ATOM 38 O LIG 1 -4.851 0.145 -2.275 0.00 0.00 -0.453 OA ENDBRANCH 1 38 TORSDOF 7