REMARK Name = BDB022419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.794 -2.017 0.707 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.595 -1.825 -0.005 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.469 -1.229 0.590 0.00 0.00 -0.018 A ATOM 4 C LIG 1 0.567 -0.830 1.932 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.746 -1.020 2.655 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.851 -1.612 2.046 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.776 -1.031 -0.173 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -1.369 -2.092 -0.876 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -2.539 -1.867 -1.590 0.00 0.00 -0.024 A ATOM 10 C LIG 1 -3.315 -2.871 -2.383 0.00 0.00 +0.056 C ATOM 11 C LIG 1 -4.320 -1.972 -3.105 0.00 0.00 +0.118 C ATOM 12 N LIG 1 -4.317 -0.679 -2.409 0.00 0.00 -0.267 N ATOM 13 C LIG 1 -5.275 0.260 -2.711 0.00 0.00 +0.243 C ATOM 14 O LIG 1 -6.050 0.143 -3.661 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -3.160 -0.616 -1.609 0.00 0.00 +0.040 A ATOM 16 C LIG 1 -2.585 0.450 -0.944 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -1.399 0.236 -0.225 0.00 0.00 +0.010 A BRANCH 13 18 ATOM 18 C LIG 1 -5.429 1.448 -1.845 0.00 0.00 +0.065 C ATOM 19 C LIG 1 -5.782 1.315 -0.556 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 -6.025 2.473 0.367 0.00 0.00 +0.111 C BRANCH 20 21 ATOM 21 N LIG 1 -7.382 2.588 0.904 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -8.383 2.806 -0.137 0.00 0.00 +0.104 C ATOM 23 C LIG 1 -7.755 1.479 1.776 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 13 18 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 3.742 -4.191 -0.059 0.00 0.00 +0.022 C ATOM 25 C LIG 1 4.004 -2.682 0.061 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 4.330 -2.089 -1.315 0.00 0.00 +0.225 C ATOM 27 N LIG 1 4.972 -0.896 -1.460 0.00 0.00 -0.268 N ATOM 28 H LIG 1 5.043 -0.600 -2.422 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 3.979 -2.659 -2.358 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 5.548 -0.071 -0.524 0.00 0.00 +0.147 A ATOM 31 N LIG 1 5.665 -0.325 0.780 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 6.283 0.757 1.281 0.00 0.00 -0.280 N ATOM 33 H LIG 1 6.465 0.796 2.278 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 6.599 1.679 0.333 0.00 0.00 +0.041 A ATOM 35 C LIG 1 6.133 1.178 -0.855 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 7.305 3.031 0.564 0.00 0.00 +0.037 C ATOM 37 C LIG 1 8.555 3.344 -0.214 0.00 0.00 +0.010 C ATOM 38 C LIG 1 8.643 3.044 1.254 0.00 0.00 +0.010 C ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8