REMARK Name = BDB027517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.878 -0.445 -0.904 0.00 0.00 +0.247 C ATOM 2 N LIG 1 1.197 -0.052 0.253 0.00 0.00 -0.296 N ATOM 3 C LIG 1 -0.267 -0.143 0.208 0.00 0.00 +0.130 C ATOM 4 C LIG 1 -0.878 -0.273 1.617 0.00 0.00 +0.090 C ATOM 5 C LIG 1 -0.360 0.818 2.564 0.00 0.00 +0.025 C ATOM 6 C LIG 1 1.168 0.844 2.560 0.00 0.00 +0.021 C ATOM 7 C LIG 1 1.719 0.989 1.145 0.00 0.00 +0.108 C ATOM 8 O LIG 1 1.312 -0.821 -1.928 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 6.168 -0.499 -0.972 0.00 0.00 +0.034 A ATOM 10 C LIG 1 5.438 0.072 -2.024 0.00 0.00 +0.024 A ATOM 11 C LIG 1 4.040 0.095 -1.994 0.00 0.00 +0.015 A ATOM 12 C LIG 1 3.360 -0.445 -0.901 0.00 0.00 +0.037 A ATOM 13 C LIG 1 4.077 -1.044 0.138 0.00 0.00 +0.015 A ATOM 14 C LIG 1 5.476 -1.060 0.105 0.00 0.00 +0.024 A BRANCH 9 16 ATOM 15 C LIG 1 8.492 -0.953 -0.166 0.00 0.00 +0.241 C ATOM 16 N LIG 1 7.575 -0.477 -1.081 0.00 0.00 -0.282 N ATOM 17 H LIG 1 7.939 -0.064 -1.929 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 8.257 -1.466 0.920 0.00 0.00 -0.271 OA BRANCH 15 20 ATOM 19 C LIG 1 10.928 -1.179 0.106 0.00 0.00 +0.013 C ATOM 20 C LIG 1 9.895 -0.770 -0.641 0.00 0.00 +0.060 C ENDBRANCH 15 20 ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 4 21 ATOM 21 N LIG 1 -2.335 -0.379 1.641 0.00 0.00 -0.309 N ATOM 22 H LIG 1 -2.696 -1.301 1.414 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.119 0.518 0.945 0.00 0.00 +0.217 A ATOM 24 N LIG 1 -4.263 0.018 0.467 0.00 0.00 -0.196 NA ATOM 25 C LIG 1 -5.084 0.837 -0.219 0.00 0.00 +0.149 A ATOM 26 C LIG 1 -4.769 2.166 -0.440 0.00 0.00 +0.036 A ATOM 27 C LIG 1 -5.654 3.047 -1.180 0.00 0.00 +0.018 A ATOM 28 C LIG 1 -6.800 2.554 -1.654 0.00 0.00 +0.071 A ATOM 29 C LIG 1 -7.191 1.137 -1.447 0.00 0.00 +0.253 A ATOM 30 O LIG 1 -8.267 0.771 -1.917 0.00 0.00 -0.268 OA ATOM 31 C LIG 1 -3.569 2.585 0.086 0.00 0.00 +0.126 A ATOM 32 N LIG 1 -6.314 0.325 -0.736 0.00 0.00 -0.290 N ATOM 33 N LIG 1 -2.734 1.784 0.773 0.00 0.00 -0.222 NA BRANCH 32 34 ATOM 34 C LIG 1 -6.683 -1.085 -0.517 0.00 0.00 +0.086 C ATOM 35 C LIG 1 -5.735 -2.074 -1.203 0.00 0.00 +0.031 C ATOM 36 C LIG 1 -6.920 -1.427 0.956 0.00 0.00 +0.031 C ENDBRANCH 32 34 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 6