REMARK Name = BDB014034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.810 -0.790 0.424 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -0.674 0.188 0.798 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -0.935 1.386 0.973 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.612 -0.331 0.991 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.928 -1.712 0.785 0.00 0.00 +0.040 A ATOM 6 C LIG 1 0.464 -2.399 -0.356 0.00 0.00 -0.026 A ATOM 7 C LIG 1 0.767 -3.760 -0.522 0.00 0.00 +0.005 A ATOM 8 C LIG 1 1.538 -4.436 0.420 0.00 0.00 +0.000 A ATOM 9 C LIG 1 2.017 -3.759 1.534 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -0.299 -1.683 -1.438 0.00 0.00 +0.039 C ATOM 11 C LIG 1 1.718 -2.406 1.714 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -1.709 -1.310 -1.008 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.250 -0.722 0.924 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -3.076 -0.081 0.611 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -3.006 0.927 0.704 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -4.326 -1.948 0.997 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -5.466 0.195 1.189 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -5.625 1.308 0.154 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -4.416 1.510 3.019 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -5.523 0.672 2.589 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -6.397 1.179 2.722 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 1.620 0.568 1.572 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 2.968 0.574 0.863 0.00 0.00 -0.022 A ATOM 24 C LIG 1 3.128 1.004 -0.486 0.00 0.00 -0.012 A ATOM 25 C LIG 1 4.420 0.949 -1.073 0.00 0.00 -0.018 A ATOM 26 C LIG 1 4.607 1.338 -2.410 0.00 0.00 +0.009 A ATOM 27 C LIG 1 3.539 1.786 -3.187 0.00 0.00 +0.013 A ATOM 28 C LIG 1 2.268 1.868 -2.624 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.513 0.503 -0.319 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.355 0.112 1.006 0.00 0.00 +0.001 A ATOM 31 C LIG 1 2.072 1.488 -1.290 0.00 0.00 +0.022 A ATOM 32 C LIG 1 4.095 0.149 1.593 0.00 0.00 +0.006 A BRANCH 28 33 ATOM 33 C LIG 1 1.088 2.309 -3.411 0.00 0.00 +0.242 C ATOM 34 O LIG 1 -0.045 1.935 -3.137 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 1.314 3.177 -4.443 0.00 0.00 -0.325 N ATOM 36 H LIG 1 0.487 3.568 -4.877 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 2.169 3.711 -4.510 0.00 0.00 +0.145 HD ENDBRANCH 28 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 6