REMARK Name = BDB064463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.245 -2.008 -1.351 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -1.079 -2.943 -0.127 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -0.929 -4.164 -0.235 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.128 -2.411 1.135 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -0.778 -3.051 1.836 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -1.478 -1.108 1.505 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.302 -0.262 0.751 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -2.502 1.065 1.176 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -1.953 1.519 2.375 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.210 0.650 3.166 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -3.070 -0.739 -0.442 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -0.980 -0.657 2.736 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -2.604 -1.480 -1.388 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.506 -0.325 -0.570 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.010 0.006 -1.833 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -6.344 0.389 -1.975 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.180 0.431 -0.859 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.688 0.082 0.398 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.353 -0.302 0.545 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 21 ATOM 20 C LIG 1 0.975 -1.131 -1.843 0.00 0.00 +0.246 C ATOM 21 N LIG 1 -0.329 -0.900 -1.465 0.00 0.00 -0.282 N ATOM 22 H LIG 1 -0.752 -0.052 -1.806 0.00 0.00 +0.151 HD ATOM 23 O LIG 1 1.522 -2.223 -1.847 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 2.061 1.139 -1.589 0.00 0.00 -0.021 A ATOM 25 C LIG 1 1.653 0.062 -2.395 0.00 0.00 +0.041 A ATOM 26 C LIG 1 1.825 0.097 -3.786 0.00 0.00 +0.013 A ATOM 27 C LIG 1 2.385 1.220 -4.391 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.775 2.306 -3.610 0.00 0.00 +0.000 A ATOM 29 C LIG 1 2.619 2.265 -2.222 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 1.992 1.093 -0.077 0.00 0.00 +0.120 C BRANCH 30 33 ATOM 31 C LIG 1 2.627 -1.528 2.148 0.00 0.00 +0.026 C ATOM 32 C LIG 1 2.785 -0.017 1.956 0.00 0.00 +0.080 C ATOM 33 N LIG 1 3.023 0.233 0.517 0.00 0.00 -0.291 NA ATOM 34 C LIG 1 4.393 0.721 0.269 0.00 0.00 +0.113 C ATOM 35 C LIG 1 5.425 -0.029 1.124 0.00 0.00 +0.175 C ATOM 36 O LIG 1 5.213 0.097 2.536 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 3.897 0.544 2.871 0.00 0.00 +0.178 C ENDBRANCH 30 33 ENDBRANCH 24 30 ENDBRANCH 20 25 ENDBRANCH 1 21 TORSDOF 5