REMARK Name = BDB022875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.889 0.289 -3.654 0.00 0.00 +0.028 C ATOM 2 C LIG 1 1.912 -0.621 -2.418 0.00 0.00 +0.078 C ATOM 3 N LIG 1 1.560 0.114 -1.189 0.00 0.00 -0.292 N ATOM 4 C LIG 1 2.438 0.549 -0.198 0.00 0.00 +0.220 C ATOM 5 O LIG 1 2.043 1.278 0.715 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.166 0.579 -1.089 0.00 0.00 +0.163 C ATOM 7 C LIG 1 -0.855 -0.353 -1.707 0.00 0.00 +0.067 A ATOM 8 C LIG 1 -0.461 -1.470 -2.421 0.00 0.00 -0.005 A ATOM 9 C LIG 1 -1.484 -2.243 -2.921 0.00 0.00 +0.120 A ATOM 10 N LIG 1 -2.787 -1.945 -2.769 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 -3.078 -0.830 -2.090 0.00 0.00 +0.216 A ATOM 12 N LIG 1 -2.157 -0.025 -1.547 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.980 -1.835 -2.586 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 3.901 0.077 -0.247 0.00 0.00 +0.085 C ATOM 15 C LIG 1 4.551 0.191 1.162 0.00 0.00 +0.045 C ATOM 16 C LIG 1 5.046 1.633 1.458 0.00 0.00 +0.093 C ATOM 17 N LIG 1 5.532 2.410 0.307 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 6.586 3.342 0.691 0.00 0.00 +0.104 C ATOM 19 C LIG 1 5.893 1.605 -0.845 0.00 0.00 +0.085 C ATOM 20 C LIG 1 4.675 0.835 -1.340 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 5.560 -0.941 1.405 0.00 0.00 -0.042 A ATOM 22 C LIG 1 6.944 -0.748 1.515 0.00 0.00 +0.004 A ATOM 23 C LIG 1 7.806 -1.825 1.742 0.00 0.00 +0.000 A ATOM 24 C LIG 1 7.299 -3.115 1.873 0.00 0.00 +0.000 A ATOM 25 C LIG 1 5.928 -3.329 1.782 0.00 0.00 +0.000 A ATOM 26 C LIG 1 5.068 -2.253 1.554 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 -4.427 -0.547 -1.963 0.00 0.00 -0.310 N ATOM 28 H LIG 1 -4.923 -1.399 -2.198 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.853 0.139 -0.746 0.00 0.00 +0.078 C ATOM 30 C LIG 1 -4.748 -0.783 0.476 0.00 0.00 +0.056 C ATOM 31 C LIG 1 -5.813 -0.518 1.559 0.00 0.00 +0.066 C ATOM 32 C LIG 1 -6.976 -1.518 1.472 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -5.171 -0.690 2.947 0.00 0.00 +0.041 C ATOM 34 O LIG 1 -6.282 0.830 1.529 0.00 0.00 -0.368 OA ATOM 35 C LIG 1 -6.792 1.363 0.302 0.00 0.00 +0.066 C ATOM 36 C LIG 1 -8.325 1.365 0.350 0.00 0.00 +0.041 C ATOM 37 C LIG 1 -6.321 2.828 0.275 0.00 0.00 +0.041 C ATOM 38 C LIG 1 -6.286 0.622 -0.944 0.00 0.00 +0.056 C ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 4