REMARK Name = BDB034239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.983 1.655 -0.417 0.00 0.00 -0.279 N ATOM 2 C LIG 1 2.949 0.857 -1.555 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.381 1.115 -2.662 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.270 -0.389 -1.183 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.992 -0.334 0.181 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.327 -1.376 0.798 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.931 -2.458 0.007 0.00 0.00 +0.121 A ATOM 8 C LIG 1 1.247 -2.522 -1.363 0.00 0.00 +0.046 A ATOM 9 C LIG 1 1.922 -1.466 -1.978 0.00 0.00 +0.017 A ATOM 10 C LIG 1 2.501 0.943 0.755 0.00 0.00 +0.145 C ENDROOT BRANCH 1 15 ATOM 11 O LIG 1 6.178 6.054 0.040 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 5.510 5.038 -0.137 0.00 0.00 +0.223 C ATOM 13 C LIG 1 3.949 4.963 -0.380 0.00 0.00 +0.080 C ATOM 14 C LIG 1 3.537 3.924 -1.471 0.00 0.00 +0.048 C ATOM 15 C LIG 1 3.799 2.876 -0.322 0.00 0.00 +0.116 C ATOM 16 C LIG 1 5.365 2.620 -0.035 0.00 0.00 +0.243 C ATOM 17 O LIG 1 5.909 1.563 0.282 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 3.202 3.998 0.604 0.00 0.00 +0.048 C ATOM 19 N LIG 1 6.100 3.790 -0.096 0.00 0.00 -0.254 N ATOM 20 H LIG 1 7.082 3.740 0.132 0.00 0.00 +0.158 HD ENDBRANCH 1 15 BRANCH 7 21 ATOM 21 O LIG 1 0.287 -3.488 0.635 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.063 -3.686 0.160 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -2.072 -3.151 1.231 0.00 0.00 +0.097 C ATOM 24 C LIG 1 -3.429 -3.898 1.174 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -3.705 -4.535 -0.186 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -2.630 -5.552 -0.569 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -1.242 -5.194 -0.039 0.00 0.00 +0.046 C BRANCH 23 28 ATOM 28 N LIG 1 -2.159 -1.677 1.185 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -2.900 -1.074 0.073 0.00 0.00 +0.093 C ATOM 30 C LIG 1 -3.212 0.363 0.544 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -2.710 0.407 1.992 0.00 0.00 +0.025 C ATOM 32 C LIG 1 -2.659 -1.053 2.404 0.00 0.00 +0.085 C BRANCH 30 33 ATOM 33 C LIG 1 -2.645 1.478 -0.306 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -3.453 2.573 -0.653 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.941 3.615 -1.430 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.617 3.581 -1.863 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -0.803 2.505 -1.520 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -1.314 1.463 -0.746 0.00 0.00 +0.004 A ENDBRANCH 30 33 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5