REMARK Name = BDB058603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.319 0.371 -0.315 0.00 0.00 -0.006 A ATOM 2 C LIG 1 1.036 0.110 -0.350 0.00 0.00 +0.120 A ATOM 3 N LIG 1 1.532 0.192 0.939 0.00 0.00 -0.220 N ATOM 4 N LIG 1 0.518 0.499 1.806 0.00 0.00 -0.173 NA ATOM 5 C LIG 1 -0.572 0.604 1.049 0.00 0.00 +0.138 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 2.871 0.008 1.445 0.00 0.00 +0.180 A ATOM 7 C LIG 1 3.957 -0.305 0.615 0.00 0.00 +0.122 A ATOM 8 C LIG 1 5.197 -0.451 1.262 0.00 0.00 +0.070 A ATOM 9 C LIG 1 6.380 -0.780 0.444 0.00 0.00 +0.259 A ATOM 10 N LIG 1 6.157 -0.915 -0.898 0.00 0.00 -0.313 N ATOM 11 H LIG 1 6.961 -1.140 -1.467 0.00 0.00 +0.170 HD ATOM 12 C LIG 1 4.926 -0.759 -1.453 0.00 0.00 +0.200 A ATOM 13 O LIG 1 7.493 -0.924 0.933 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 5.351 -0.297 2.638 0.00 0.00 +0.035 A ATOM 15 C LIG 1 4.229 0.009 3.365 0.00 0.00 +0.114 A ATOM 16 N LIG 1 3.864 -0.473 -0.785 0.00 0.00 -0.233 NA ATOM 17 N LIG 1 3.016 0.162 2.804 0.00 0.00 -0.234 NA ENDBRANCH 3 6 BRANCH 1 21 ATOM 18 N LIG 1 -3.804 0.451 -0.174 0.00 0.00 -0.303 NA ATOM 19 C LIG 1 -3.268 -0.882 -0.492 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.140 -0.875 -1.533 0.00 0.00 +0.023 C ATOM 21 C LIG 1 -1.276 0.390 -1.476 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -2.148 1.659 -1.526 0.00 0.00 +0.023 C ATOM 23 C LIG 1 -3.637 1.387 -1.283 0.00 0.00 +0.085 C BRANCH 18 25 ATOM 24 C LIG 1 -5.354 -0.378 1.594 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -5.195 0.404 0.294 0.00 0.00 +0.081 C ENDBRANCH 18 25 ENDBRANCH 1 21 TORSDOF 3