REMARK Name = BDB035221 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 7.114 0.186 -1.382 0.00 0.00 +0.086 C ATOM 2 C LIG 1 5.947 0.868 -0.704 0.00 0.00 +0.111 A ATOM 3 N LIG 1 5.152 0.199 0.202 0.00 0.00 -0.284 N ATOM 4 C LIG 1 4.073 0.859 0.808 0.00 0.00 +0.264 A ATOM 5 O LIG 1 3.262 0.287 1.540 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 3.874 2.293 0.500 0.00 0.00 +0.086 A ATOM 7 C LIG 1 4.729 2.834 -0.459 0.00 0.00 +0.080 A ATOM 8 C LIG 1 4.577 4.168 -0.838 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.590 4.959 -0.259 0.00 0.00 +0.004 A ATOM 10 C LIG 1 2.742 4.415 0.707 0.00 0.00 +0.024 A ATOM 11 C LIG 1 2.850 3.071 1.096 0.00 0.00 +0.042 A ATOM 12 N LIG 1 5.752 2.098 -1.057 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 5.311 -1.223 0.573 0.00 0.00 +0.178 C ATOM 14 C LIG 1 6.591 -1.492 1.368 0.00 0.00 +0.242 C ATOM 15 O LIG 1 7.254 -0.618 1.919 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 6.960 -2.816 1.464 0.00 0.00 -0.255 N ATOM 17 H LIG 1 7.810 -2.998 1.980 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 6.455 -3.881 0.758 0.00 0.00 +0.219 C ATOM 19 O LIG 1 6.992 -4.983 0.808 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 5.193 -3.632 -0.037 0.00 0.00 +0.099 C ATOM 21 C LIG 1 5.151 -2.211 -0.584 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 2.021 2.559 2.114 0.00 0.00 -0.341 N ATOM 23 H LIG 1 2.199 1.553 2.243 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 0.582 2.837 2.058 0.00 0.00 +0.129 C BRANCH 24 25 ATOM 25 C LIG 1 -0.105 2.139 0.877 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 O LIG 1 -1.516 2.355 0.960 0.00 0.00 -0.377 OA BRANCH 26 27 ATOM 27 C LIG 1 -2.233 1.838 -0.163 0.00 0.00 +0.175 C BRANCH 27 28 ATOM 28 C LIG 1 -2.372 0.306 -0.116 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 N LIG 1 -3.231 -0.235 -1.173 0.00 0.00 -0.308 NA ATOM 30 H LIG 1 -3.320 0.440 -1.932 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.562 -0.710 -0.764 0.00 0.00 +0.020 C ATOM 32 C LIG 1 -5.316 -1.115 -2.063 0.00 0.00 +0.025 C ATOM 33 C LIG 1 -6.721 -1.651 -1.740 0.00 0.00 -0.009 C ATOM 34 C LIG 1 -7.522 -0.561 -1.011 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -6.807 -0.166 0.290 0.00 0.00 -0.009 C ATOM 36 C LIG 1 -6.673 -1.403 1.193 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -5.873 -2.501 0.471 0.00 0.00 -0.009 C ATOM 38 C LIG 1 -6.595 -2.883 -0.830 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -5.404 0.373 -0.044 0.00 0.00 +0.025 C ATOM 40 C LIG 1 -4.468 -1.969 0.137 0.00 0.00 +0.025 C ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 9