REMARK Name = BDB016143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.053 -1.493 -0.204 0.00 0.00 -0.002 A ATOM 2 C LIG 1 -2.248 -0.706 -0.149 0.00 0.00 +0.056 A ATOM 3 N LIG 1 -2.121 0.656 -0.455 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -1.181 0.990 -0.244 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -3.124 1.657 -0.136 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -4.408 1.391 -0.881 0.00 0.00 +0.118 C ATOM 7 C LIG 1 -5.263 0.357 -0.228 0.00 0.00 +0.219 C ATOM 8 N LIG 1 -4.757 -0.842 0.145 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -5.499 -1.449 0.472 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -6.472 0.554 -0.071 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -3.256 1.888 1.368 0.00 0.00 +0.028 C ATOM 12 C LIG 1 -3.458 -1.385 0.122 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -3.429 -2.763 0.431 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -2.247 -3.497 0.420 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -1.062 -2.866 0.087 0.00 0.00 +0.010 A ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 1.245 -0.751 0.297 0.00 0.00 +0.008 C ATOM 17 C LIG 1 0.243 -0.898 -0.583 0.00 0.00 +0.010 C BRANCH 16 21 ATOM 18 C LIG 1 5.091 0.977 -0.512 0.00 0.00 +0.120 A ATOM 19 C LIG 1 4.939 -0.017 0.454 0.00 0.00 +0.046 A ATOM 20 C LIG 1 3.677 -0.574 0.699 0.00 0.00 +0.011 A ATOM 21 C LIG 1 2.551 -0.155 -0.021 0.00 0.00 -0.025 A ATOM 22 C LIG 1 2.709 0.853 -0.978 0.00 0.00 +0.011 A ATOM 23 C LIG 1 3.970 1.408 -1.222 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 7.432 1.187 -0.162 0.00 0.00 +0.277 C ATOM 25 O LIG 1 6.259 1.602 -0.849 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 1 17 TORSDOF 3