REMARK Name = BDB027432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.800 -1.158 0.121 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.512 -0.648 -0.973 0.00 0.00 -0.004 A ATOM 3 C LIG 1 -2.306 -1.525 -1.736 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.380 -2.882 -1.422 0.00 0.00 +0.045 A ATOM 5 N LIG 1 -1.676 -3.387 -0.385 0.00 0.00 -0.258 NA ATOM 6 C LIG 1 -0.922 -2.533 0.350 0.00 0.00 +0.134 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 2.417 0.272 1.518 0.00 0.00 +0.075 C ATOM 8 C LIG 1 1.436 -0.384 0.479 0.00 0.00 +0.133 C ATOM 9 N LIG 1 0.004 -0.304 0.907 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.173 -0.484 2.359 0.00 0.00 +0.105 C ATOM 11 C LIG 1 0.440 0.715 3.090 0.00 0.00 +0.021 C ATOM 12 C LIG 1 1.646 1.319 2.352 0.00 0.00 +0.031 C BRANCH 7 15 ATOM 13 C LIG 1 5.707 0.349 -0.209 0.00 0.00 +0.041 A ATOM 14 N LIG 1 4.620 -0.066 0.487 0.00 0.00 -0.255 NA ATOM 15 C LIG 1 3.623 0.829 0.744 0.00 0.00 +0.063 A ATOM 16 C LIG 1 3.696 2.146 0.297 0.00 0.00 +0.025 A ATOM 17 C LIG 1 4.821 2.559 -0.412 0.00 0.00 +0.004 A ATOM 18 C LIG 1 5.843 1.653 -0.667 0.00 0.00 +0.023 A BRANCH 13 20 ATOM 19 C LIG 1 7.830 -0.640 0.672 0.00 0.00 +0.010 C ATOM 20 C LIG 1 6.796 -0.665 -0.443 0.00 0.00 +0.052 C ENDBRANCH 13 20 ENDBRANCH 7 15 BRANCH 7 21 ATOM 21 N LIG 1 2.905 -0.761 2.488 0.00 0.00 -0.319 NA ATOM 22 H LIG 1 3.567 -0.300 3.115 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 3.512 -1.381 1.937 0.00 0.00 +0.119 HD ENDBRANCH 7 21 ENDBRANCH 1 9 BRANCH 4 24 ATOM 24 C LIG 1 -3.233 -3.819 -2.242 0.00 0.00 +0.038 C ATOM 25 C LIG 1 -4.173 -4.780 -1.550 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -4.731 -3.618 -2.316 0.00 0.00 +0.010 C ENDBRANCH 4 24 BRANCH 2 27 ATOM 27 C LIG 1 -1.501 0.817 -1.324 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 N LIG 1 -2.626 1.511 -0.731 0.00 0.00 -0.310 N ATOM 29 C LIG 1 -3.818 1.790 -1.341 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -4.542 2.496 -0.394 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -5.833 2.907 -0.766 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -6.271 2.615 -2.012 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 -5.454 1.914 -2.829 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -3.804 2.673 0.761 0.00 0.00 -0.231 NA ATOM 35 N LIG 1 -4.208 1.460 -2.584 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -2.662 2.061 0.523 0.00 0.00 +0.202 A BRANCH 31 37 ATOM 37 N LIG 1 -6.674 3.625 0.075 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -7.369 4.150 -0.438 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -6.181 4.097 0.825 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 8