REMARK Name = BDB017469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.422 2.354 -1.373 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.501 1.074 -1.954 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.405 0.212 -1.835 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.225 0.566 -1.195 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.611 -0.589 -1.296 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.012 -1.584 -1.945 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.124 1.857 -0.646 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.211 -1.072 -2.261 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.862 -1.658 -2.770 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.220 2.727 -0.747 0.00 0.00 +0.005 A ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -6.461 -0.516 1.121 0.00 0.00 +0.163 A ATOM 12 C LIG 1 -5.103 -0.202 1.403 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -4.507 0.944 0.854 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -5.244 1.742 -0.007 0.00 0.00 -0.007 A ATOM 15 C LIG 1 -4.925 2.993 -0.778 0.00 0.00 +0.081 C ATOM 16 C LIG 1 -3.598 3.303 -1.444 0.00 0.00 +0.040 C ATOM 17 C LIG 1 -6.216 3.325 -1.488 0.00 0.00 +0.228 C ATOM 18 N LIG 1 -7.130 2.343 -1.148 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -8.078 2.341 -1.492 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -6.394 4.283 -2.220 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 -4.045 4.070 -0.215 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -6.577 1.402 -0.275 0.00 0.00 +0.041 A ATOM 23 C LIG 1 -7.209 0.301 0.266 0.00 0.00 +0.073 A BRANCH 11 25 ATOM 24 C LIG 1 -8.322 -1.960 1.539 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -6.947 -1.651 1.723 0.00 0.00 -0.491 OA ENDBRANCH 11 25 BRANCH 12 26 ATOM 26 O LIG 1 -4.448 -1.066 2.249 0.00 0.00 -0.491 OA ATOM 27 C LIG 1 -3.026 -1.021 2.237 0.00 0.00 +0.277 C ENDBRANCH 12 26 ENDBRANCH 1 16 BRANCH 5 28 ATOM 28 C LIG 1 1.942 -0.682 -0.768 0.00 0.00 +0.031 C ATOM 29 C LIG 1 2.727 -1.770 -0.859 0.00 0.00 +0.010 C BRANCH 29 30 ATOM 30 C LIG 1 4.092 -1.849 -0.325 0.00 0.00 -0.025 A ATOM 31 C LIG 1 5.070 -2.522 -1.065 0.00 0.00 +0.008 A ATOM 32 C LIG 1 6.377 -2.639 -0.581 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.731 -2.092 0.660 0.00 0.00 -0.033 A ATOM 34 C LIG 1 5.744 -1.438 1.410 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.438 -1.320 0.924 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 C LIG 1 8.146 -2.221 1.186 0.00 0.00 +0.119 C BRANCH 36 37 ATOM 37 N LIG 1 9.088 -1.147 0.838 0.00 0.00 -0.304 NA ATOM 38 C LIG 1 8.719 0.150 1.395 0.00 0.00 +0.104 C ATOM 39 C LIG 1 9.351 -1.051 -0.593 0.00 0.00 +0.104 C ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 5 28 TORSDOF 7