REMARK Name = BDB046607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.045 0.754 -0.237 0.00 0.00 +0.114 C ATOM 2 C LIG 1 -3.175 -0.279 0.002 0.00 0.00 +0.095 C ATOM 3 C LIG 1 -4.532 0.423 0.142 0.00 0.00 +0.081 A ATOM 4 C LIG 1 -4.537 1.830 0.577 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -5.762 2.463 0.750 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -6.992 1.710 0.469 0.00 0.00 +0.273 A ATOM 7 N LIG 1 -6.821 0.403 0.082 0.00 0.00 -0.242 N ATOM 8 H LIG 1 -7.657 -0.144 -0.103 0.00 0.00 +0.192 HD ATOM 9 O LIG 1 -8.097 2.229 0.581 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -5.815 3.783 1.204 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -4.629 4.451 1.503 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -3.401 3.804 1.334 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -3.336 2.497 0.833 0.00 0.00 +0.037 A ATOM 14 N LIG 1 -5.632 -0.243 -0.068 0.00 0.00 -0.175 NA ATOM 15 N LIG 1 -2.098 1.852 0.742 0.00 0.00 -0.336 N ATOM 16 H LIG 1 -1.318 2.498 0.630 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 1.911 -1.048 -0.033 0.00 0.00 -0.033 A ATOM 18 C LIG 1 1.367 -0.652 -1.261 0.00 0.00 +0.005 A ATOM 19 C LIG 1 0.099 -0.067 -1.321 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -0.654 0.134 -0.154 0.00 0.00 -0.026 A ATOM 21 C LIG 1 -0.107 -0.269 1.075 0.00 0.00 +0.006 A ATOM 22 C LIG 1 1.161 -0.851 1.134 0.00 0.00 +0.005 A BRANCH 17 23 ATOM 23 C LIG 1 3.280 -1.694 0.035 0.00 0.00 +0.119 C BRANCH 23 28 ATOM 24 C LIG 1 8.226 0.360 0.955 0.00 0.00 +0.105 C ATOM 25 N LIG 1 7.017 0.123 0.170 0.00 0.00 -0.303 NA ATOM 26 C LIG 1 5.901 0.948 0.680 0.00 0.00 +0.099 C ATOM 27 C LIG 1 4.524 0.390 0.263 0.00 0.00 +0.100 C ATOM 28 N LIG 1 4.242 -0.940 0.854 0.00 0.00 -0.296 NA ATOM 29 C LIG 1 5.490 -1.703 1.064 0.00 0.00 +0.100 C ATOM 30 C LIG 1 6.656 -1.308 0.130 0.00 0.00 +0.099 C ENDBRANCH 23 28 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 2 31 ATOM 31 C LIG 1 -3.176 -1.347 -1.094 0.00 0.00 -0.036 A ATOM 32 C LIG 1 -2.719 -2.643 -0.805 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.674 -3.620 -1.800 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.085 -3.316 -3.096 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.541 -2.035 -3.399 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.584 -1.055 -2.406 0.00 0.00 +0.004 A ENDBRANCH 2 31 TORSDOF 4