REMARK Name = BDB055701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.126 -1.837 -1.138 0.00 0.00 +0.251 C ATOM 2 N LIG 1 0.998 -2.249 -0.389 0.00 0.00 -0.267 N ATOM 3 O LIG 1 -0.124 -1.602 -2.346 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 -3.372 -0.253 -0.053 0.00 0.00 +0.163 A ATOM 5 C LIG 1 -3.880 -1.262 0.782 0.00 0.00 +0.162 A ATOM 6 C LIG 1 -3.205 -2.474 0.950 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -1.975 -2.671 0.329 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.425 -1.646 -0.448 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -2.135 -0.455 -0.667 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 -5.096 -1.131 1.406 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 -4.951 -0.359 2.599 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 -4.152 0.862 -0.203 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 -3.683 1.885 -1.079 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 -4.728 2.997 -1.178 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 -4.781 3.895 0.059 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 -6.477 2.820 1.332 0.00 0.00 +0.193 C ATOM 17 O LIG 1 -5.114 3.220 1.267 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 2.026 -3.061 -1.019 0.00 0.00 +0.037 A ATOM 19 C LIG 1 1.772 -3.734 -2.228 0.00 0.00 +0.023 A ATOM 20 C LIG 1 2.736 -4.545 -2.841 0.00 0.00 +0.002 A ATOM 21 C LIG 1 3.984 -4.711 -2.257 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.264 -4.064 -1.060 0.00 0.00 +0.002 A ATOM 23 C LIG 1 3.296 -3.254 -0.450 0.00 0.00 +0.023 A ENDBRANCH 2 18 BRANCH 2 24 ATOM 24 C LIG 1 1.120 -1.900 1.040 0.00 0.00 +0.119 C BRANCH 24 25 ATOM 25 C LIG 1 1.035 -0.393 1.385 0.00 0.00 +0.025 C ATOM 26 C LIG 1 2.199 0.522 0.980 0.00 0.00 +0.013 C ATOM 27 C LIG 1 3.254 0.212 2.037 0.00 0.00 +0.085 C ATOM 28 N LIG 1 2.502 -0.085 3.265 0.00 0.00 -0.315 NA ATOM 29 H LIG 1 2.859 -0.937 3.695 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 1.086 -0.224 2.909 0.00 0.00 +0.086 C BRANCH 26 31 ATOM 31 C LIG 1 2.697 0.438 -0.462 0.00 0.00 +0.040 C BRANCH 31 32 ATOM 32 C LIG 1 3.676 1.539 -0.804 0.00 0.00 -0.047 A ATOM 33 C LIG 1 5.048 1.268 -0.895 0.00 0.00 +0.003 A ATOM 34 C LIG 1 5.952 2.288 -1.197 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.494 3.586 -1.412 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.131 3.866 -1.327 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.226 2.848 -1.025 0.00 0.00 +0.003 A ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 12