REMARK Name = BDB039377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.366 -1.244 -0.895 0.00 0.00 +0.025 A ATOM 2 C LIG 1 0.552 -1.803 -2.208 0.00 0.00 +0.145 A ATOM 3 N LIG 1 1.856 -1.923 -2.678 0.00 0.00 -0.306 N ATOM 4 C LIG 1 1.779 -2.478 -3.930 0.00 0.00 +0.112 A ATOM 5 C LIG 1 0.439 -2.665 -4.169 0.00 0.00 +0.131 A ATOM 6 C LIG 1 2.979 -1.526 -1.965 0.00 0.00 +0.097 A ATOM 7 C LIG 1 2.831 -0.998 -0.736 0.00 0.00 -0.016 A ATOM 8 N LIG 1 -0.314 -2.240 -3.106 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 1.470 -0.848 -0.211 0.00 0.00 +0.018 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 -5.433 0.176 0.104 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -4.838 -0.344 1.244 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -5.324 -0.504 2.347 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.451 -0.665 0.890 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.231 -0.245 -0.418 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -1.992 -0.423 -1.011 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -0.965 -1.034 -0.269 0.00 0.00 -0.014 A ATOM 17 C LIG 1 -1.222 -1.463 1.058 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -2.474 -1.273 1.652 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -4.469 0.375 -0.970 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 -10.105 2.693 1.581 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -9.104 2.095 1.198 0.00 0.00 +0.219 C ATOM 22 N LIG 1 -7.868 2.690 1.237 0.00 0.00 -0.255 N ATOM 23 H LIG 1 -7.837 3.622 1.626 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -6.684 2.217 0.717 0.00 0.00 +0.240 C ATOM 25 O LIG 1 -5.689 2.939 0.687 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 -6.741 0.821 0.079 0.00 0.00 +0.163 C ATOM 27 C LIG 1 -7.851 -0.016 0.713 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -9.175 0.719 0.578 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 3.990 -0.519 0.102 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.289 -1.478 1.164 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 3.427 -1.681 1.669 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 5.279 -0.981 2.129 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 6.734 -0.950 1.625 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 7.144 0.308 0.905 0.00 0.00 +0.024 A ATOM 35 C LIG 1 7.137 1.545 1.553 0.00 0.00 +0.129 A ATOM 36 F LIG 1 6.753 1.624 2.835 0.00 0.00 -0.205 F ATOM 37 C LIG 1 7.527 2.715 0.902 0.00 0.00 +0.039 A ATOM 38 C LIG 1 7.947 2.662 -0.425 0.00 0.00 +0.006 A ATOM 39 C LIG 1 7.975 1.436 -1.088 0.00 0.00 +0.039 A ATOM 40 C LIG 1 7.581 0.277 -0.421 0.00 0.00 +0.129 A ATOM 41 F LIG 1 7.615 -0.885 -1.089 0.00 0.00 -0.205 F ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 7