REMARK Name = BDB022944 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.430 0.849 -0.599 0.00 0.00 +0.216 A ATOM 2 N LIG 1 2.333 0.691 -1.349 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 1.137 0.977 -0.786 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.088 0.804 -1.659 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -1.375 0.996 -0.966 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -1.387 2.021 0.082 0.00 0.00 +0.078 C ATOM 7 C LIG 1 -0.303 1.730 1.134 0.00 0.00 +0.060 C ATOM 8 C LIG 1 -1.259 3.435 -0.500 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -2.488 0.473 -1.606 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -2.366 -0.066 -2.713 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 1.024 1.435 0.513 0.00 0.00 -0.005 A ATOM 12 C LIG 1 2.208 1.544 1.206 0.00 0.00 +0.120 A ATOM 13 N LIG 1 3.410 1.261 0.674 0.00 0.00 -0.223 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -3.887 0.500 -0.969 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.949 -0.231 0.397 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.513 0.611 1.568 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.554 1.564 1.159 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -6.108 2.248 2.330 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -5.009 2.532 0.210 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -4.602 1.853 -1.092 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.684 -1.564 0.252 0.00 0.00 -0.039 A ATOM 22 C LIG 1 -6.082 -1.641 0.218 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.697 -2.883 0.071 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -8.193 -2.979 0.036 0.00 0.00 +0.065 C ATOM 25 N LIG 1 -5.998 -4.034 -0.051 0.00 0.00 -0.260 NA ATOM 26 C LIG 1 -4.652 -3.941 -0.040 0.00 0.00 +0.111 A ATOM 27 C LIG 1 -3.959 -2.750 0.105 0.00 0.00 +0.023 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 28 ATOM 28 N LIG 1 4.625 0.548 -1.227 0.00 0.00 -0.311 N ATOM 29 H LIG 1 4.390 0.021 -2.060 0.00 0.00 +0.149 HD BRANCH 28 33 ATOM 30 C LIG 1 7.886 -1.982 -0.056 0.00 0.00 +0.118 C ATOM 31 C LIG 1 8.174 -0.531 -0.452 0.00 0.00 +0.033 C ATOM 32 C LIG 1 7.003 0.097 -1.203 0.00 0.00 +0.025 C ATOM 33 C LIG 1 5.695 0.008 -0.401 0.00 0.00 +0.073 C ATOM 34 C LIG 1 5.406 -1.451 -0.016 0.00 0.00 +0.025 C ATOM 35 C LIG 1 6.578 -2.072 0.736 0.00 0.00 +0.033 C BRANCH 30 37 ATOM 36 C LIG 1 10.102 -2.855 0.080 0.00 0.00 +0.194 C ATOM 37 O LIG 1 8.919 -2.502 0.784 0.00 0.00 -0.380 OA ENDBRANCH 30 37 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 5