REMARK Name = BDB003640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.959 -2.543 2.380 0.00 0.00 +0.197 A ATOM 2 N LIG 1 -0.203 -2.508 1.625 0.00 0.00 -0.271 N ATOM 3 C LIG 1 -0.610 -1.182 1.707 0.00 0.00 +0.176 A ATOM 4 N LIG 1 0.204 -0.521 2.511 0.00 0.00 -0.130 NA ATOM 5 N LIG 1 1.179 -1.376 2.937 0.00 0.00 -0.122 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -0.839 -3.580 0.947 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -0.969 -4.825 1.577 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -1.596 -5.881 0.914 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.086 -5.702 -0.379 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -1.948 -4.469 -1.012 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -1.329 -3.406 -0.353 0.00 0.00 +0.026 A ENDBRANCH 2 6 BRANCH 1 12 ATOM 12 S LIG 1 2.116 -3.836 2.440 0.00 0.00 -0.076 S BRANCH 12 13 ATOM 13 C LIG 1 2.671 -4.000 0.714 0.00 0.00 +0.175 C BRANCH 13 16 ATOM 14 C LIG 1 2.565 -0.751 -0.693 0.00 0.00 +0.248 A ATOM 15 O LIG 1 3.001 -1.609 0.287 0.00 0.00 -0.419 OA ATOM 16 C LIG 1 2.514 -2.809 -0.154 0.00 0.00 +0.228 A ATOM 17 N LIG 1 1.908 -2.717 -1.319 0.00 0.00 -0.111 NA ATOM 18 N LIG 1 1.945 -1.384 -1.670 0.00 0.00 -0.107 NA BRANCH 14 23 ATOM 19 C LIG 1 3.551 4.905 -0.035 0.00 0.00 +0.044 C ATOM 20 C LIG 1 3.284 3.438 -0.190 0.00 0.00 -0.050 A ATOM 21 C LIG 1 3.554 2.549 0.855 0.00 0.00 +0.004 A ATOM 22 C LIG 1 3.324 1.178 0.698 0.00 0.00 +0.013 A ATOM 23 C LIG 1 2.831 0.668 -0.511 0.00 0.00 +0.038 A ATOM 24 C LIG 1 2.567 1.564 -1.556 0.00 0.00 +0.013 A ATOM 25 C LIG 1 2.797 2.935 -1.401 0.00 0.00 +0.004 A ENDBRANCH 14 23 ENDBRANCH 13 16 ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 3 26 ATOM 26 C LIG 1 -1.835 -0.598 1.098 0.00 0.00 +0.305 C BRANCH 26 27 ATOM 27 O LIG 1 -1.453 -0.123 -0.197 0.00 0.00 -0.484 OA BRANCH 27 28 ATOM 28 C LIG 1 -2.348 0.817 -0.644 0.00 0.00 +0.129 A ATOM 29 C LIG 1 -2.050 2.191 -0.518 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -2.985 3.128 -1.015 0.00 0.00 -0.014 A ATOM 31 C LIG 1 -2.719 4.502 -0.891 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -1.545 4.953 -0.287 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -0.620 4.037 0.200 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.166 2.671 -1.626 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -4.426 1.305 -1.760 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -0.868 2.669 0.084 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -3.513 0.375 -1.274 0.00 0.00 +0.046 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 8