REMARK Name = BDB011708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.695 0.973 1.272 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.194 0.079 2.227 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.000 -0.609 1.974 0.00 0.00 +0.014 A ATOM 4 C LIG 1 1.714 -0.350 0.798 0.00 0.00 +0.037 A ATOM 5 C LIG 1 1.237 0.573 -0.140 0.00 0.00 +0.014 A ATOM 6 C LIG 1 0.035 1.234 0.101 0.00 0.00 +0.014 A ENDROOT BRANCH 1 17 ATOM 7 C LIG 1 -4.641 -1.034 1.618 0.00 0.00 +0.177 C ATOM 8 C LIG 1 -5.060 -0.729 0.182 0.00 0.00 +0.242 C ATOM 9 O LIG 1 -4.895 -1.569 -0.708 0.00 0.00 -0.273 OA ATOM 10 N LIG 1 -5.623 0.526 -0.037 0.00 0.00 -0.264 N ATOM 11 C LIG 1 -5.524 1.601 0.917 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -4.383 1.827 1.738 0.00 0.00 +0.059 A ATOM 13 C LIG 1 -4.375 2.932 2.617 0.00 0.00 +0.044 A ATOM 14 C LIG 1 -5.456 3.808 2.703 0.00 0.00 +0.054 A ATOM 15 C LIG 1 -6.566 3.596 1.893 0.00 0.00 +0.021 A ATOM 16 N LIG 1 -3.176 1.051 1.641 0.00 0.00 -0.263 N ATOM 17 C LIG 1 -1.957 1.730 1.456 0.00 0.00 +0.251 C ATOM 18 O LIG 1 -1.853 2.953 1.340 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 -6.591 2.513 1.011 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -3.261 -0.409 1.765 0.00 0.00 +0.145 C BRANCH 7 22 ATOM 21 C LIG 1 -5.808 -3.146 2.028 0.00 0.00 +0.230 C ATOM 22 N LIG 1 -4.612 -2.485 1.814 0.00 0.00 -0.301 N ATOM 23 H LIG 1 -3.932 -3.006 1.270 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -6.850 -2.549 2.302 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 -5.708 -4.685 1.940 0.00 0.00 +0.137 C ATOM 26 C LIG 1 -7.078 -5.313 1.676 0.00 0.00 +0.034 C BRANCH 25 28 ATOM 27 C LIG 1 -5.652 -4.861 4.394 0.00 0.00 +0.101 C ATOM 28 N LIG 1 -5.035 -5.259 3.132 0.00 0.00 -0.309 NA ATOM 29 H LIG 1 -5.069 -6.277 3.062 0.00 0.00 +0.122 HD ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 7 22 BRANCH 14 30 ATOM 30 C LIG 1 -5.412 4.920 3.603 0.00 0.00 +0.099 C ATOM 31 N LIG 1 -5.376 5.824 4.330 0.00 0.00 -0.191 NA ENDBRANCH 14 30 BRANCH 10 32 ATOM 32 C LIG 1 -6.097 0.822 -1.400 0.00 0.00 +0.149 C BRANCH 32 33 ATOM 33 C LIG 1 -7.598 0.957 -1.674 0.00 0.00 -0.019 A ATOM 34 C LIG 1 -8.012 1.852 -2.732 0.00 0.00 -0.013 A ATOM 35 C LIG 1 -9.396 2.040 -2.975 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -9.845 2.914 -3.980 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -8.949 3.607 -4.788 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.590 3.430 -4.597 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -10.340 1.344 -2.224 0.00 0.00 +0.009 A ATOM 40 C LIG 1 -9.942 0.427 -1.260 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -7.133 2.565 -3.591 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -8.585 0.198 -0.992 0.00 0.00 -0.045 A ATOM 43 C LIG 1 -8.278 -0.857 0.037 0.00 0.00 +0.044 C ENDBRANCH 32 33 ENDBRANCH 10 32 ENDBRANCH 1 17 BRANCH 4 44 ATOM 44 C LIG 1 2.974 -1.074 0.500 0.00 0.00 +0.251 C ATOM 45 N LIG 1 4.121 -0.292 0.242 0.00 0.00 -0.263 N ATOM 46 C LIG 1 5.121 -0.753 -0.694 0.00 0.00 +0.059 A ATOM 47 C LIG 1 6.489 -0.367 -0.706 0.00 0.00 +0.058 A ATOM 48 C LIG 1 7.302 -0.775 -1.789 0.00 0.00 +0.026 A ATOM 49 C LIG 1 6.834 -1.610 -2.802 0.00 0.00 +0.021 A ATOM 50 C LIG 1 5.521 -2.050 -2.760 0.00 0.00 +0.054 A ATOM 51 N LIG 1 7.141 0.363 0.341 0.00 0.00 -0.264 N ATOM 52 C LIG 1 6.676 1.575 0.842 0.00 0.00 +0.242 C ATOM 53 O LIG 1 7.406 2.319 1.508 0.00 0.00 -0.273 OA ATOM 54 C LIG 1 5.228 1.964 0.615 0.00 0.00 +0.177 C ATOM 55 C LIG 1 4.679 -1.606 -1.735 0.00 0.00 +0.044 A ATOM 56 C LIG 1 4.382 0.820 1.151 0.00 0.00 +0.145 C ATOM 57 O LIG 1 2.916 -2.300 0.444 0.00 0.00 -0.270 OA BRANCH 54 58 ATOM 58 N LIG 1 4.856 2.398 -0.729 0.00 0.00 -0.301 N ATOM 59 H LIG 1 4.939 1.750 -1.503 0.00 0.00 +0.150 HD ATOM 60 C LIG 1 4.510 3.708 -0.982 0.00 0.00 +0.230 C ATOM 61 O LIG 1 4.543 4.586 -0.117 0.00 0.00 -0.274 OA BRANCH 60 62 ATOM 62 C LIG 1 4.050 3.969 -2.433 0.00 0.00 +0.137 C ATOM 63 C LIG 1 5.264 4.085 -3.347 0.00 0.00 +0.034 C BRANCH 62 64 ATOM 64 N LIG 1 3.261 5.214 -2.515 0.00 0.00 -0.309 NA ATOM 65 H LIG 1 3.762 5.926 -1.973 0.00 0.00 +0.122 HD ATOM 66 C LIG 1 1.930 5.064 -1.934 0.00 0.00 +0.101 C ENDBRANCH 62 64 ENDBRANCH 60 62 ENDBRANCH 54 58 BRANCH 50 67 ATOM 67 C LIG 1 5.022 -2.932 -3.777 0.00 0.00 +0.099 C ATOM 68 N LIG 1 4.636 -3.637 -4.613 0.00 0.00 -0.191 NA ENDBRANCH 50 67 BRANCH 51 69 ATOM 69 C LIG 1 8.521 0.028 0.765 0.00 0.00 +0.149 C BRANCH 69 70 ATOM 70 C LIG 1 9.006 -1.418 0.661 0.00 0.00 -0.019 A ATOM 71 C LIG 1 8.235 -2.504 1.196 0.00 0.00 -0.013 A ATOM 72 C LIG 1 8.661 -3.835 0.953 0.00 0.00 -0.018 A ATOM 73 C LIG 1 7.887 -4.924 1.388 0.00 0.00 +0.008 A ATOM 74 C LIG 1 6.702 -4.728 2.089 0.00 0.00 +0.001 A ATOM 75 C LIG 1 6.291 -3.435 2.383 0.00 0.00 +0.001 A ATOM 76 C LIG 1 9.857 -4.072 0.272 0.00 0.00 +0.009 A ATOM 77 C LIG 1 10.653 -3.021 -0.162 0.00 0.00 +0.004 A ATOM 78 C LIG 1 7.054 -2.346 1.958 0.00 0.00 +0.009 A ATOM 79 C LIG 1 10.254 -1.692 0.032 0.00 0.00 -0.045 A ATOM 80 C LIG 1 11.172 -0.611 -0.485 0.00 0.00 +0.044 C ENDBRANCH 69 70 ENDBRANCH 51 69 ENDBRANCH 4 44 TORSDOF 14