REMARK Name = BDB021606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.391 -4.645 -0.898 0.00 0.00 +0.057 C ATOM 2 C LIG 1 -0.549 -3.733 0.326 0.00 0.00 +0.121 C ATOM 3 O LIG 1 -1.832 -3.104 0.276 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 -2.060 -1.884 -0.280 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -1.231 -1.064 -1.056 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.750 0.164 -1.533 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -3.049 0.581 -1.238 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -3.857 -0.226 -0.448 0.00 0.00 +0.040 A ATOM 9 C LIG 1 0.163 -1.346 -1.502 0.00 0.00 +0.250 C ATOM 10 O LIG 1 0.550 -0.835 -2.554 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 1.013 -2.117 -0.728 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -3.372 -1.456 0.004 0.00 0.00 +0.059 A ATOM 13 C LIG 1 0.601 -2.735 0.523 0.00 0.00 +0.155 C ATOM 14 C LIG 1 -0.612 -4.627 1.579 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -5.244 0.204 -0.161 0.00 0.00 +0.247 C ATOM 16 N LIG 1 -5.717 0.079 1.135 0.00 0.00 -0.287 N ATOM 17 C LIG 1 -4.931 0.242 2.357 0.00 0.00 +0.102 C ATOM 18 C LIG 1 -4.735 1.762 2.590 0.00 0.00 +0.182 C ATOM 19 O LIG 1 -5.997 2.443 2.748 0.00 0.00 -0.376 OA ATOM 20 C LIG 1 -6.924 2.119 1.685 0.00 0.00 +0.182 C ATOM 21 C LIG 1 -5.882 -0.347 3.409 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -7.290 -0.114 2.827 0.00 0.00 +0.027 C ATOM 23 C LIG 1 -7.038 0.586 1.485 0.00 0.00 +0.102 C ATOM 24 O LIG 1 -5.921 0.654 -1.080 0.00 0.00 -0.270 OA ENDBRANCH 8 15 BRANCH 11 25 ATOM 25 C LIG 1 2.374 -2.402 -1.221 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 3.444 -1.397 -0.738 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 3.337 -1.266 0.690 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 2.520 -0.762 0.849 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 3.329 -0.022 -1.444 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.556 0.808 -1.414 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 4.340 2.016 -2.243 0.00 0.00 +0.120 C ATOM 32 C LIG 1 5.473 3.018 -2.189 0.00 0.00 -0.030 A ATOM 33 C LIG 1 6.388 3.014 -1.124 0.00 0.00 -0.042 A ATOM 34 C LIG 1 7.408 3.973 -1.077 0.00 0.00 +0.004 A ATOM 35 C LIG 1 7.506 4.947 -2.071 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.591 4.965 -3.121 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.312 1.936 -0.075 0.00 0.00 +0.051 C ATOM 38 C LIG 1 5.576 4.008 -3.178 0.00 0.00 +0.005 A ATOM 39 C LIG 1 4.960 1.207 -0.057 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 11 25 TORSDOF 6