REMARK Name = BDB051479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.288 3.398 1.559 0.00 0.00 +0.141 C ATOM 2 N LIG 1 -0.767 2.331 0.736 0.00 0.00 -0.245 N ATOM 3 C LIG 1 -0.468 2.382 -0.572 0.00 0.00 +0.183 C ATOM 4 N LIG 1 -0.074 1.284 -1.126 0.00 0.00 -0.230 NA ATOM 5 C LIG 1 -0.074 0.231 -0.040 0.00 0.00 +0.191 C ATOM 6 C LIG 1 -0.593 1.050 1.174 0.00 0.00 +0.258 C ATOM 7 O LIG 1 -0.817 0.653 2.312 0.00 0.00 -0.272 OA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 1.365 -0.293 0.145 0.00 0.00 -0.007 A ATOM 9 C LIG 1 2.169 -0.523 -0.990 0.00 0.00 +0.007 A ATOM 10 C LIG 1 3.470 -1.016 -0.870 0.00 0.00 +0.000 A ATOM 11 C LIG 1 3.993 -1.298 0.388 0.00 0.00 +0.000 A ATOM 12 C LIG 1 3.213 -1.095 1.522 0.00 0.00 +0.000 A ATOM 13 C LIG 1 1.910 -0.602 1.404 0.00 0.00 +0.007 A ENDBRANCH 5 8 BRANCH 5 14 ATOM 14 C LIG 1 -1.039 -0.922 -0.381 0.00 0.00 -0.007 A ATOM 15 C LIG 1 -1.590 -1.059 -1.668 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -2.454 -2.113 -1.975 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -2.779 -3.056 -1.004 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.238 -2.947 0.273 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -1.374 -1.893 0.582 0.00 0.00 +0.007 A ENDBRANCH 5 14 BRANCH 3 20 ATOM 20 N LIG 1 -0.565 3.532 -1.281 0.00 0.00 -0.331 N ATOM 21 H LIG 1 -0.097 3.463 -2.180 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -0.336 4.384 -0.788 0.00 0.00 +0.145 HD ENDBRANCH 3 20 TORSDOF 3