REMARK Name = BDB035347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.626 0.609 0.494 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.194 -0.277 1.191 0.00 0.00 -0.267 N ATOM 3 C LIG 1 -1.573 -0.257 1.194 0.00 0.00 +0.056 A ATOM 4 C LIG 1 -2.096 -1.377 1.940 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -3.414 -1.579 2.062 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -4.367 -0.624 1.428 0.00 0.00 +0.252 A ATOM 7 N LIG 1 -3.797 0.448 0.741 0.00 0.00 -0.309 N ATOM 8 O LIG 1 -5.573 -0.824 1.548 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -0.951 -2.189 2.492 0.00 0.00 +0.008 C ATOM 10 C LIG 1 -1.016 -3.657 2.052 0.00 0.00 +0.017 C ATOM 11 C LIG 1 -0.909 -2.102 4.024 0.00 0.00 +0.017 C ATOM 12 C LIG 1 -2.420 0.612 0.630 0.00 0.00 +0.113 A ATOM 13 C LIG 1 0.283 -1.490 1.878 0.00 0.00 +0.124 C ATOM 14 O LIG 1 0.189 1.495 -0.250 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 2.164 0.464 0.676 0.00 0.00 +0.165 C BRANCH 15 17 ATOM 16 C LIG 1 2.869 -0.692 -1.402 0.00 0.00 +0.230 C ATOM 17 N LIG 1 2.726 0.471 -0.672 0.00 0.00 -0.302 N ATOM 18 H LIG 1 2.624 1.311 -1.238 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 2.734 -1.807 -0.906 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 3.125 -0.450 -2.909 0.00 0.00 +0.137 C ATOM 21 C LIG 1 3.706 -1.684 -3.592 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 5.295 0.703 -2.722 0.00 0.00 +0.101 C ATOM 23 N LIG 1 3.900 0.797 -3.140 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 3.879 1.004 -4.140 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 15 17 BRANCH 15 25 ATOM 25 C LIG 1 2.785 1.576 1.583 0.00 0.00 -0.011 C ATOM 26 C LIG 1 2.179 1.513 2.999 0.00 0.00 +0.013 C ATOM 27 C LIG 1 4.306 1.332 1.712 0.00 0.00 +0.013 C ATOM 28 C LIG 1 2.574 2.999 1.030 0.00 0.00 +0.013 C ENDBRANCH 15 25 ENDBRANCH 1 15 BRANCH 7 29 ATOM 29 C LIG 1 -4.682 1.397 0.070 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 C LIG 1 -4.884 1.062 -1.392 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -5.840 0.105 -1.772 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -6.017 -0.222 -3.117 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -5.237 0.404 -4.082 0.00 0.00 +0.123 A ATOM 34 F LIG 1 -5.406 0.089 -5.373 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -4.281 1.348 -3.728 0.00 0.00 +0.038 A ATOM 36 C LIG 1 -4.102 1.677 -2.383 0.00 0.00 +0.008 A ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 7