REMARK Name = BDB030674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.470 0.567 -0.023 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -1.494 -0.689 0.631 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.282 -1.282 0.990 0.00 0.00 +0.065 A ATOM 4 C LIG 1 0.927 -0.643 0.712 0.00 0.00 +0.151 A ATOM 5 F LIG 1 2.046 -1.282 1.079 0.00 0.00 -0.203 F ATOM 6 C LIG 1 0.959 0.597 0.070 0.00 0.00 +0.104 A ATOM 7 C LIG 1 -0.256 1.202 -0.301 0.00 0.00 +0.056 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -2.756 -1.301 0.860 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.959 -2.476 -0.018 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.404 -3.030 0.133 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.405 -2.158 -0.637 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.855 -3.260 1.535 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.360 -4.555 2.016 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.447 -2.177 2.477 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.473 -1.038 2.476 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.003 -1.632 2.281 0.00 0.00 +0.123 C ENDBRANCH 2 8 BRANCH 6 17 ATOM 17 N LIG 1 2.182 1.255 -0.215 0.00 0.00 -0.216 N ATOM 18 N LIG 1 2.208 2.446 -0.860 0.00 0.00 -0.060 NA ATOM 19 N LIG 1 3.467 2.835 -0.993 0.00 0.00 -0.124 NA ATOM 20 C LIG 1 4.277 1.883 -0.435 0.00 0.00 +0.167 A ATOM 21 C LIG 1 3.477 0.874 0.066 0.00 0.00 +0.149 A BRANCH 20 22 ATOM 22 C LIG 1 5.733 2.008 -0.411 0.00 0.00 +0.266 C ATOM 23 N LIG 1 6.416 0.889 0.040 0.00 0.00 -0.307 N ATOM 24 H LIG 1 5.906 0.024 0.139 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 6.316 3.025 -0.776 0.00 0.00 -0.268 OA BRANCH 23 26 ATOM 26 C LIG 1 7.872 0.821 -0.002 0.00 0.00 +0.076 C ATOM 27 C LIG 1 8.367 0.473 -1.409 0.00 0.00 +0.037 C ATOM 28 C LIG 1 9.886 0.299 -1.423 0.00 0.00 +0.086 C ATOM 29 N LIG 1 10.385 -0.665 -0.434 0.00 0.00 -0.305 NA ATOM 30 C LIG 1 10.114 -2.048 -0.817 0.00 0.00 +0.104 C ATOM 31 C LIG 1 9.905 -0.349 0.915 0.00 0.00 +0.086 C ATOM 32 C LIG 1 8.387 -0.199 1.015 0.00 0.00 +0.037 C ENDBRANCH 23 26 ENDBRANCH 20 22 ENDBRANCH 6 17 BRANCH 1 34 ATOM 33 C LIG 1 -3.035 2.258 -1.013 0.00 0.00 +0.250 C ATOM 34 N LIG 1 -2.734 1.101 -0.338 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -3.492 0.510 0.000 0.00 0.00 +0.155 HD ATOM 36 O LIG 1 -2.255 3.034 -1.549 0.00 0.00 -0.270 OA BRANCH 33 41 ATOM 37 C LIG 1 -7.712 2.948 0.851 0.00 0.00 +0.048 C ATOM 38 C LIG 1 -6.730 2.832 -0.280 0.00 0.00 +0.006 A ATOM 39 C LIG 1 -5.353 2.650 -0.062 0.00 0.00 +0.059 A ATOM 40 CL LIG 1 -4.742 2.622 1.562 0.00 0.00 -0.082 Cl ATOM 41 C LIG 1 -4.485 2.517 -1.159 0.00 0.00 +0.057 A ATOM 42 C LIG 1 -4.970 2.618 -2.471 0.00 0.00 +0.040 A ATOM 43 C LIG 1 -6.321 2.858 -2.705 0.00 0.00 +0.061 A ATOM 44 C LIG 1 -7.188 2.912 -1.603 0.00 0.00 +0.148 A ATOM 45 F LIG 1 -8.502 3.074 -1.834 0.00 0.00 -0.203 F BRANCH 43 46 ATOM 46 N LIG 1 -6.823 2.822 -4.016 0.00 0.00 -0.356 N ATOM 47 H LIG 1 -7.745 3.248 -4.096 0.00 0.00 +0.142 HD ATOM 48 H LIG 1 -6.176 3.157 -4.723 0.00 0.00 +0.142 HD ENDBRANCH 43 46 ENDBRANCH 33 41 ENDBRANCH 1 34 TORSDOF 7