REMARK Name = BDB019626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.679 -2.427 0.785 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.533 -2.819 1.358 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.742 -2.342 0.836 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -1.701 -1.467 -0.264 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.483 -1.077 -0.852 0.00 0.00 -0.029 A ATOM 6 C LIG 1 0.710 -1.586 -0.330 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.025 -2.736 1.428 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.630 -3.983 1.191 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -2.995 -5.008 0.291 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -4.816 -4.349 1.748 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -5.424 -3.457 2.554 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -6.593 -3.816 3.104 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -4.917 -2.207 2.844 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -3.702 -1.844 2.272 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 15 N LIG 1 2.754 -2.110 2.088 0.00 0.00 -0.296 N ATOM 16 C LIG 1 1.938 -2.959 1.341 0.00 0.00 +0.247 C ATOM 17 O LIG 1 2.192 -4.139 1.117 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.974 -2.667 2.646 0.00 0.00 +0.132 C BRANCH 15 19 ATOM 19 C LIG 1 2.313 -0.820 2.627 0.00 0.00 +0.143 C BRANCH 19 24 ATOM 20 C LIG 1 3.714 1.584 -0.007 0.00 0.00 +0.124 A ATOM 21 C LIG 1 2.658 2.487 -0.138 0.00 0.00 +0.091 A ATOM 22 C LIG 1 1.508 2.332 0.639 0.00 0.00 +0.124 A ATOM 23 C LIG 1 1.402 1.256 1.522 0.00 0.00 +0.051 A ATOM 24 C LIG 1 2.445 0.330 1.657 0.00 0.00 -0.023 A ATOM 25 C LIG 1 3.606 0.521 0.895 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 5.043 2.642 -1.676 0.00 0.00 +0.277 C ATOM 27 O LIG 1 4.895 1.621 -0.698 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 0.407 3.145 0.580 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 0.675 4.501 0.231 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 -0.469 -0.151 -2.046 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 -1.154 1.084 -1.718 0.00 0.00 -0.329 N ATOM 32 H LIG 1 -0.888 1.489 -0.825 0.00 0.00 +0.147 HD BRANCH 31 33 ATOM 33 C LIG 1 -1.545 1.957 -2.693 0.00 0.00 +0.090 C ATOM 34 C LIG 1 -2.087 3.307 -2.309 0.00 0.00 +0.073 C ATOM 35 C LIG 1 -1.896 4.035 -3.615 0.00 0.00 +0.031 C ATOM 36 C LIG 1 -2.047 2.917 -4.628 0.00 0.00 +0.143 C ATOM 37 N LIG 1 -1.512 1.711 -3.968 0.00 0.00 -0.273 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9