REMARK Name = BDB058242 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.837 0.695 0.764 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.407 -0.511 1.337 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.055 -0.821 1.317 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.382 -2.023 1.905 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.008 -1.984 1.216 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.733 -0.506 0.899 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.813 -0.322 -0.277 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.992 -0.690 -1.428 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.273 0.338 0.198 0.00 0.00 -0.195 N ATOM 10 C LIG 1 -0.152 0.574 1.520 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.975 1.128 2.233 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.052 0.128 1.981 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 3.119 0.052 0.752 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.526 1.254 0.199 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.891 1.569 0.204 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 10.104 3.025 0.077 0.00 0.00 +0.129 C ATOM 17 N LIG 1 9.229 1.989 0.569 0.00 0.00 -0.302 N ATOM 18 H LIG 1 9.398 1.680 1.514 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 7.894 2.003 0.201 0.00 0.00 +0.304 C ATOM 20 N LIG 1 7.219 0.969 0.812 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.807 0.254 1.210 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 7.434 2.831 -0.573 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.470 0.590 -0.571 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.371 -0.652 -0.515 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.550 -0.621 -1.260 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -3.941 0.468 -2.167 0.00 0.00 +0.074 C ATOM 27 C LIG 1 -3.385 0.215 -3.572 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -5.462 0.686 -2.235 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -6.091 0.857 -0.853 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -6.307 -0.400 -0.035 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.544 -1.581 -0.154 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -5.839 -2.670 0.692 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.847 -2.594 1.652 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.583 -1.425 1.784 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.311 -0.340 0.953 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -4.440 -1.774 -1.172 0.00 0.00 +0.143 C ATOM 37 O LIG 1 -2.055 -1.628 0.172 0.00 0.00 -0.274 OA ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 3