REMARK Name = BDB001567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.283 0.386 -2.187 0.00 0.00 -0.314 NA ATOM 2 H LIG 1 -0.035 0.064 -3.124 0.00 0.00 +0.122 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.482 -0.384 -1.202 0.00 0.00 +0.082 C BRANCH 3 4 ATOM 4 C LIG 1 1.975 -0.283 -1.518 0.00 0.00 +0.034 C BRANCH 4 5 ATOM 5 C LIG 1 2.803 -1.045 -0.481 0.00 0.00 +0.109 C BRANCH 5 8 ATOM 6 O LIG 1 6.287 0.059 -0.459 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 5.083 0.028 -0.194 0.00 0.00 +0.220 C ATOM 8 N LIG 1 4.242 -0.941 -0.747 0.00 0.00 -0.297 N BRANCH 8 9 ATOM 9 C LIG 1 4.823 -1.915 -1.674 0.00 0.00 +0.142 C BRANCH 9 10 ATOM 10 C LIG 1 5.048 -3.261 -1.022 0.00 0.00 -0.030 A ATOM 11 C LIG 1 6.068 -3.426 -0.074 0.00 0.00 +0.005 A ATOM 12 C LIG 1 6.276 -4.663 0.537 0.00 0.00 +0.000 A ATOM 13 C LIG 1 5.467 -5.749 0.206 0.00 0.00 +0.000 A ATOM 14 C LIG 1 4.450 -5.598 -0.736 0.00 0.00 +0.000 A ATOM 15 C LIG 1 4.241 -4.361 -1.348 0.00 0.00 +0.005 A ENDBRANCH 9 10 ENDBRANCH 8 9 BRANCH 7 16 ATOM 16 C LIG 1 4.447 1.024 0.774 0.00 0.00 +0.131 C BRANCH 16 17 ATOM 17 C LIG 1 5.339 2.183 1.157 0.00 0.00 -0.039 A ATOM 18 C LIG 1 6.203 2.084 2.257 0.00 0.00 +0.004 A ATOM 19 C LIG 1 7.027 3.154 2.607 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.001 4.330 1.860 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.153 4.436 0.759 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.328 3.367 0.406 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 7 16 ENDBRANCH 5 8 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 -1.734 0.214 -2.016 0.00 0.00 +0.100 C BRANCH 23 24 ATOM 24 C LIG 1 -2.305 0.847 -0.732 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 N LIG 1 -3.770 0.768 -0.679 0.00 0.00 -0.296 N ATOM 26 C LIG 1 -4.346 -0.432 -0.265 0.00 0.00 +0.220 C ATOM 27 O LIG 1 -3.644 -1.412 -0.004 0.00 0.00 -0.275 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.870 -0.479 -0.173 0.00 0.00 +0.131 C BRANCH 28 29 ATOM 29 C LIG 1 -6.411 -1.655 0.607 0.00 0.00 -0.039 A ATOM 30 C LIG 1 -6.653 -1.544 1.984 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -7.149 -2.631 2.705 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.402 -3.840 2.060 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.155 -3.965 0.694 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.660 -2.879 -0.029 0.00 0.00 +0.004 A ENDBRANCH 28 29 ENDBRANCH 26 28 BRANCH 25 35 ATOM 35 C LIG 1 -4.513 1.935 -1.158 0.00 0.00 +0.142 C BRANCH 35 36 ATOM 36 C LIG 1 -4.589 3.074 -0.165 0.00 0.00 -0.030 A ATOM 37 C LIG 1 -4.537 2.872 1.223 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.645 3.950 2.105 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.818 5.241 1.614 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.885 5.457 0.240 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.776 4.381 -0.643 0.00 0.00 +0.005 A ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 15