REMARK Name = BDB035430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.091 0.558 0.494 0.00 0.00 -0.248 N ATOM 2 C LIG 1 -0.410 -0.588 0.879 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.741 -1.758 0.864 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.903 -0.151 1.365 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.949 -0.926 1.828 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.122 -0.277 2.238 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.180 1.136 2.192 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.107 1.913 1.706 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.968 1.236 1.284 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.309 1.765 0.707 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.449 -0.388 -0.842 0.00 0.00 -0.023 A ATOM 12 C LIG 1 -3.170 -0.482 -0.270 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -2.375 0.645 -0.080 0.00 0.00 +0.130 A ATOM 14 N LIG 1 -2.801 1.877 -0.431 0.00 0.00 -0.217 NA ATOM 15 C LIG 1 -4.011 2.005 -1.003 0.00 0.00 +0.121 A ATOM 16 C LIG 1 -4.840 0.911 -1.217 0.00 0.00 +0.048 A BRANCH 11 20 ATOM 17 C LIG 1 -4.903 -4.179 -3.630 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -5.134 -3.115 -2.525 0.00 0.00 -0.074 C ATOM 19 C LIG 1 -4.871 -3.106 -1.032 0.00 0.00 +0.053 C ATOM 20 C LIG 1 -5.422 -1.643 -1.026 0.00 0.00 +0.077 C ATOM 21 C LIG 1 -5.722 -1.904 -2.504 0.00 0.00 -0.009 C BRANCH 20 22 ATOM 22 C LIG 1 -6.717 -1.475 -0.134 0.00 0.00 +0.148 A ATOM 23 N LIG 1 -6.803 -1.611 1.226 0.00 0.00 -0.319 N ATOM 24 C LIG 1 -5.756 -1.947 2.152 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -8.095 -1.335 1.551 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.767 -1.038 0.465 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.898 -1.117 -0.599 0.00 0.00 -0.133 NA ENDBRANCH 20 22 ENDBRANCH 11 20 BRANCH 15 28 ATOM 28 N LIG 1 -4.369 3.296 -1.377 0.00 0.00 -0.326 N ATOM 29 H LIG 1 -3.683 3.966 -1.045 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.660 3.780 -1.748 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -5.653 5.301 -2.038 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -5.372 4.973 -3.518 0.00 0.00 +0.004 C ATOM 33 C LIG 1 -5.967 3.574 -3.252 0.00 0.00 +0.022 C ENDBRANCH 28 30 ENDBRANCH 15 28 ENDBRANCH 1 13 BRANCH 8 34 ATOM 34 C LIG 1 2.182 3.416 1.648 0.00 0.00 +0.418 C ATOM 35 F LIG 1 1.955 3.897 0.396 0.00 0.00 -0.166 F ATOM 36 F LIG 1 1.254 4.007 2.449 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.386 3.917 2.031 0.00 0.00 -0.166 F ENDBRANCH 8 34 BRANCH 6 38 ATOM 38 C LIG 1 4.308 -1.102 2.708 0.00 0.00 +0.120 C BRANCH 38 39 ATOM 39 N LIG 1 5.336 -1.385 1.703 0.00 0.00 -0.293 NA ATOM 40 C LIG 1 6.372 -0.340 1.530 0.00 0.00 +0.074 C ATOM 41 C LIG 1 6.868 -0.204 0.049 0.00 0.00 +0.103 C ATOM 42 N LIG 1 7.128 -1.487 -0.617 0.00 0.00 -0.303 NA ATOM 43 C LIG 1 7.557 -1.306 -1.999 0.00 0.00 +0.105 C ATOM 44 C LIG 1 5.976 -2.401 -0.506 0.00 0.00 +0.099 C ATOM 45 C LIG 1 4.841 -1.939 0.440 0.00 0.00 +0.100 C BRANCH 40 46 ATOM 46 C LIG 1 7.513 -0.590 2.569 0.00 0.00 +0.001 C ATOM 47 C LIG 1 8.502 0.581 2.632 0.00 0.00 +0.009 C ATOM 48 C LIG 1 8.278 -1.904 2.371 0.00 0.00 +0.009 C ENDBRANCH 40 46 ENDBRANCH 38 39 ENDBRANCH 6 38 TORSDOF 9