REMARK Name = BDB004783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.028 1.224 0.297 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -0.531 0.791 -0.923 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.974 1.710 -1.879 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.832 3.078 -1.622 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.296 3.523 -0.412 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.130 2.602 0.544 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.478 1.345 -3.143 0.00 0.00 -0.280 N ATOM 8 H LIG 1 -1.334 2.019 -3.885 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.862 0.119 -3.634 0.00 0.00 +0.266 C ATOM 10 O LIG 1 -1.675 -0.111 -4.830 0.00 0.00 -0.268 OA BRANCH 9 11 ATOM 11 C LIG 1 -2.566 -0.816 -2.797 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -2.682 -2.137 -3.133 0.00 0.00 -0.272 N ATOM 13 H LIG 1 -2.291 -2.592 -3.952 0.00 0.00 +0.189 HD ATOM 14 N LIG 1 -3.409 -2.865 -2.271 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 -3.833 -1.976 -1.362 0.00 0.00 +0.069 A ATOM 16 C LIG 1 -3.324 -0.681 -1.650 0.00 0.00 +0.058 A BRANCH 15 17 ATOM 17 C LIG 1 -4.764 -2.382 -0.229 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -6.114 -1.655 -0.382 0.00 0.00 +0.017 C ATOM 19 C LIG 1 -4.145 -2.005 1.131 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -5.039 -3.901 -0.214 0.00 0.00 +0.017 C ENDBRANCH 15 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 -0.635 -0.577 1.904 0.00 0.00 +0.033 C ATOM 22 C LIG 1 0.538 0.227 1.328 0.00 0.00 +0.099 C BRANCH 22 23 ATOM 23 N LIG 1 1.515 -0.702 0.711 0.00 0.00 -0.322 N ATOM 24 H LIG 1 1.353 -1.616 1.142 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 2.826 -0.432 1.161 0.00 0.00 +0.130 A ATOM 26 C LIG 1 3.657 0.528 0.557 0.00 0.00 +0.041 A ATOM 27 C LIG 1 4.898 0.753 1.180 0.00 0.00 +0.088 A ATOM 28 C LIG 1 5.748 1.720 0.601 0.00 0.00 +0.063 A ATOM 29 C LIG 1 5.384 2.412 -0.572 0.00 0.00 +0.015 A ATOM 30 C LIG 1 4.173 2.155 -1.194 0.00 0.00 +0.002 A ATOM 31 N LIG 1 5.246 0.045 2.282 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 4.394 -0.884 2.731 0.00 0.00 +0.223 A ATOM 33 C LIG 1 3.318 1.216 -0.633 0.00 0.00 +0.013 A ATOM 34 N LIG 1 3.192 -1.159 2.226 0.00 0.00 -0.220 NA BRANCH 28 35 ATOM 35 C LIG 1 7.090 2.072 1.165 0.00 0.00 +0.244 C ATOM 36 O LIG 1 7.859 2.820 0.572 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 7.451 1.540 2.368 0.00 0.00 -0.325 N ATOM 38 H LIG 1 6.880 0.822 2.803 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 8.394 1.692 2.696 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 7