REMARK Name = BDB022979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.766 -1.774 3.187 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.035 -2.122 1.927 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -0.469 -0.902 1.227 0.00 0.00 -0.291 N ATOM 4 C LIG 1 -1.673 -0.308 1.623 0.00 0.00 +0.237 C ATOM 5 O LIG 1 -2.410 -0.861 2.451 0.00 0.00 -0.274 OA ATOM 6 C LIG 1 0.522 -0.202 0.401 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.720 -1.007 -0.042 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.813 -2.354 0.239 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.928 -2.988 -0.262 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.891 -2.360 -0.959 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.725 -1.049 -1.179 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.676 -0.345 -0.734 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.733 -3.065 0.986 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -2.085 1.062 0.997 0.00 0.00 +0.160 C ATOM 15 N LIG 1 -3.218 0.917 0.047 0.00 0.00 -0.317 N ATOM 16 C LIG 1 -4.545 0.656 0.639 0.00 0.00 +0.124 C ATOM 17 C LIG 1 -4.923 1.690 1.761 0.00 0.00 +0.073 C ATOM 18 C LIG 1 -3.797 2.737 1.913 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -2.450 2.051 2.118 0.00 0.00 +0.033 C BRANCH 15 20 ATOM 20 C LIG 1 -2.899 0.236 -1.132 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -3.305 -1.078 -1.394 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -2.938 -1.726 -2.576 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.160 -1.068 -3.524 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.755 0.240 -3.289 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -2.124 0.883 -2.105 0.00 0.00 +0.023 A ENDBRANCH 15 20 BRANCH 17 26 ATOM 26 N LIG 1 -6.274 2.290 1.541 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -7.333 1.285 1.706 0.00 0.00 +0.104 C ATOM 28 C LIG 1 -6.563 3.432 2.415 0.00 0.00 +0.104 C ENDBRANCH 17 26 ENDBRANCH 4 14 BRANCH 11 29 ATOM 29 N LIG 1 4.661 -0.320 -1.892 0.00 0.00 -0.310 N ATOM 30 H LIG 1 4.504 0.659 -1.673 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 6.042 -0.785 -1.886 0.00 0.00 +0.077 C ATOM 32 C LIG 1 6.823 -0.027 -2.973 0.00 0.00 +0.050 C ATOM 33 C LIG 1 7.591 1.139 -2.371 0.00 0.00 +0.161 C ATOM 34 O LIG 1 8.553 0.718 -1.403 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 8.185 -0.430 -0.639 0.00 0.00 +0.161 C ATOM 36 C LIG 1 6.681 -0.593 -0.503 0.00 0.00 +0.050 C ENDBRANCH 29 31 ENDBRANCH 11 29 TORSDOF 5