REMARK Name = BDB020439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.266 -0.219 -0.770 0.00 0.00 +0.146 A ATOM 2 C LIG 1 0.888 -0.165 -0.561 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.125 0.155 0.440 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.387 -0.083 -0.330 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.158 -0.560 -1.752 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.655 -1.992 -1.980 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.694 0.420 -2.798 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.555 0.231 0.327 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.704 0.090 -0.393 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -3.683 -0.639 -1.078 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.542 0.657 1.479 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.321 -0.543 -1.736 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.321 -0.804 -2.599 0.00 0.00 -0.277 N ATOM 14 H LIG 1 1.286 -1.104 -3.567 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.532 -0.622 -2.023 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 3.170 0.096 0.177 0.00 0.00 -0.323 N ATOM 17 H LIG 1 2.874 0.200 1.141 0.00 0.00 +0.148 HD BRANCH 16 21 ATOM 18 C LIG 1 7.732 1.555 1.093 0.00 0.00 +0.239 C ATOM 19 N LIG 1 6.878 0.532 0.722 0.00 0.00 -0.296 N ATOM 20 C LIG 1 5.438 0.763 0.867 0.00 0.00 +0.130 C ATOM 21 C LIG 1 4.593 -0.169 -0.020 0.00 0.00 +0.089 C ATOM 22 C LIG 1 4.902 -1.646 0.280 0.00 0.00 +0.025 C ATOM 23 C LIG 1 6.309 -1.871 0.837 0.00 0.00 +0.021 C ATOM 24 C LIG 1 7.302 -0.820 0.351 0.00 0.00 +0.108 C ATOM 25 O LIG 1 7.358 2.583 1.654 0.00 0.00 -0.271 OA BRANCH 18 27 ATOM 26 C LIG 1 9.659 1.177 -0.408 0.00 0.00 +0.013 C ATOM 27 C LIG 1 9.181 1.391 0.825 0.00 0.00 +0.060 C ENDBRANCH 18 27 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 9 28 ATOM 28 C LIG 1 -5.041 0.329 0.150 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 C LIG 1 -5.490 -0.859 0.995 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -6.256 -1.882 0.407 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.668 -2.987 1.155 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.315 -3.092 2.498 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.547 -2.094 3.092 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.136 -0.987 2.346 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.288 1.721 0.825 0.00 0.00 +0.111 C BRANCH 35 36 ATOM 36 N LIG 1 -5.195 2.956 0.013 0.00 0.00 -0.306 NA ATOM 37 C LIG 1 -6.046 2.942 -1.170 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -3.823 3.315 -0.325 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 9 28 TORSDOF 7