REMARK Name = BDB024103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.242 -1.258 -0.089 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.804 -2.678 -0.416 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.742 -3.649 0.597 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.305 -4.944 0.312 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.074 -5.284 -0.984 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.015 -4.333 -2.000 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.421 -3.038 -1.719 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.080 -0.211 -0.058 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.186 -0.721 0.116 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.322 -1.723 0.159 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.347 0.993 -0.124 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.397 -0.036 0.203 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -3.456 -0.853 0.377 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -4.683 -0.278 0.472 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -4.924 1.090 0.404 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -3.807 1.906 0.223 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -2.531 1.341 0.123 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -6.269 1.624 0.509 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -6.593 2.915 0.872 0.00 0.00 +0.113 A ATOM 20 N LIG 1 -7.956 2.993 0.857 0.00 0.00 -0.284 N ATOM 21 H LIG 1 -8.543 3.792 1.072 0.00 0.00 +0.188 HD ATOM 22 N LIG 1 -8.552 1.841 0.513 0.00 0.00 -0.182 NA ATOM 23 C LIG 1 -7.528 1.010 0.300 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 2.268 -0.774 -1.042 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.279 0.251 -0.993 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.616 -1.287 -0.773 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 4.338 -0.658 0.434 0.00 0.00 +0.050 C BRANCH 27 31 ATOM 28 C LIG 1 5.016 3.586 -0.015 0.00 0.00 +0.052 A ATOM 29 C LIG 1 5.880 2.668 -0.620 0.00 0.00 +0.019 A ATOM 30 C LIG 1 5.662 1.296 -0.470 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.583 0.826 0.291 0.00 0.00 -0.046 A ATOM 32 C LIG 1 3.721 1.752 0.894 0.00 0.00 +0.005 A ATOM 33 C LIG 1 3.935 3.124 0.741 0.00 0.00 +0.019 A BRANCH 28 35 ATOM 34 N LIG 1 5.419 6.133 -0.295 0.00 0.00 -0.191 NA ATOM 35 C LIG 1 5.237 4.994 -0.171 0.00 0.00 +0.099 C ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9