REMARK Name = BDB015970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.221 1.978 -0.626 0.00 0.00 +0.164 A ATOM 2 N LIG 1 0.227 1.082 -0.497 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 -1.002 1.454 -0.908 0.00 0.00 +0.228 A ATOM 4 C LIG 1 -1.290 2.694 -1.449 0.00 0.00 +0.082 A ATOM 5 C LIG 1 -0.196 3.536 -1.525 0.00 0.00 +0.128 A ATOM 6 N LIG 1 1.058 3.211 -1.129 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.082 -0.159 0.716 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.817 0.254 0.267 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.565 1.571 -0.171 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.643 2.473 -0.147 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.908 2.081 0.298 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.125 0.772 0.730 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 3.738 -5.082 1.255 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.135 -3.702 1.389 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.120 -3.375 2.244 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.227 -2.051 2.102 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.305 -1.522 1.169 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.614 -2.631 0.725 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.603 3.133 -1.907 0.00 0.00 +0.099 A ATOM 20 N LIG 1 -2.888 4.443 -2.025 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -4.158 4.484 -2.462 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.790 5.761 -2.685 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -4.706 3.255 -2.651 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -3.726 2.355 -2.306 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 O LIG 1 -2.033 0.552 -0.725 0.00 0.00 -0.470 OA BRANCH 25 26 ATOM 26 C LIG 1 -1.653 -0.740 -0.209 0.00 0.00 +0.205 C ATOM 27 C LIG 1 -1.554 -0.693 1.332 0.00 0.00 +0.172 C ATOM 28 C LIG 1 -1.314 -2.095 1.937 0.00 0.00 +0.083 C ATOM 29 C LIG 1 -2.382 -3.088 1.447 0.00 0.00 +0.021 C ATOM 30 C LIG 1 -2.512 -3.120 -0.076 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -2.744 -1.725 -0.650 0.00 0.00 +0.047 C BRANCH 28 32 ATOM 32 N LIG 1 0.029 -2.610 1.623 0.00 0.00 -0.325 NA ATOM 33 H LIG 1 0.158 -3.499 2.107 0.00 0.00 +0.119 HD ATOM 34 H LIG 1 0.726 -1.981 2.027 0.00 0.00 +0.119 HD ENDBRANCH 28 32 BRANCH 27 35 ATOM 35 O LIG 1 -2.767 -0.153 1.886 0.00 0.00 -0.387 OA ATOM 36 H LIG 1 -2.944 0.668 1.390 0.00 0.00 +0.210 HD ENDBRANCH 27 35 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 7