REMARK Name = BDB024177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.473 -1.092 0.150 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.342 -2.610 0.041 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.421 -3.192 -1.237 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.274 -4.570 -1.410 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.042 -5.389 -0.309 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.953 -4.831 0.964 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.097 -3.452 1.139 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.147 -0.385 -0.271 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.932 -0.720 0.533 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.789 -1.448 1.214 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.130 0.378 -1.236 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.228 -0.208 0.415 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.511 0.762 -0.466 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.786 1.219 -0.527 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.830 0.752 0.263 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.512 -0.252 1.177 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.203 -0.736 1.256 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.180 1.276 0.160 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.708 1.920 -0.941 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.998 2.235 -0.623 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.957 2.917 -1.458 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.357 1.838 0.610 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.252 1.257 1.084 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.890 -0.575 1.472 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -1.223 -0.826 2.193 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.258 -0.907 1.882 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.405 -0.545 0.914 0.00 0.00 +0.050 C BRANCH 27 30 ATOM 28 C LIG 1 -6.243 0.144 -1.311 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -5.473 1.213 -0.579 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.581 0.899 0.474 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -3.902 1.952 1.111 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.075 3.278 0.704 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.939 3.581 -0.345 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.635 2.551 -0.983 0.00 0.00 +0.022 A BRANCH 33 35 ATOM 35 C LIG 1 -5.119 4.940 -0.764 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.275 6.040 -1.099 0.00 0.00 -0.191 NA ENDBRANCH 33 35 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9