REMARK Name = BDB010293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.703 -0.755 0.839 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.555 -0.544 0.097 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.201 -1.696 0.157 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.514 -2.509 1.024 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.135 -3.741 1.394 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.009 -4.121 0.812 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.760 -3.408 -0.059 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.380 -2.165 -0.416 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.666 -1.916 1.444 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.987 -0.174 0.199 0.00 0.00 +0.076 C ATOM 11 N LIG 1 2.700 0.177 0.881 0.00 0.00 -0.298 N ATOM 12 C LIG 1 2.936 0.753 2.225 0.00 0.00 +0.108 C ATOM 13 C LIG 1 3.767 -0.162 3.124 0.00 0.00 +0.019 C ATOM 14 C LIG 1 5.065 -0.585 2.449 0.00 0.00 +0.003 C ATOM 15 C LIG 1 4.803 -1.159 1.059 0.00 0.00 +0.022 C BRANCH 10 16 ATOM 16 C LIG 1 3.767 -0.693 -1.244 0.00 0.00 +0.025 C BRANCH 16 18 ATOM 17 C LIG 1 4.708 1.256 -2.592 0.00 0.00 +0.007 C ATOM 18 C LIG 1 4.797 -0.245 -2.306 0.00 0.00 -0.015 C ATOM 19 C LIG 1 6.233 -0.642 -1.980 0.00 0.00 +0.007 C ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 -1.541 -5.488 1.154 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -2.573 -5.995 0.743 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -0.752 -6.177 2.011 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -1.219 -7.028 2.133 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.138 -1.454 -1.333 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.031 -0.453 -1.302 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.502 -1.905 -1.625 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -3.890 -1.322 -2.986 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.462 -1.491 -0.503 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.742 0.011 -0.207 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.156 -0.417 0.238 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.000 -1.644 -0.686 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.255 0.655 -0.664 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -0.836 1.547 -0.037 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -1.298 2.592 -1.065 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -2.354 3.533 -0.491 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -1.863 4.220 0.788 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -2.951 5.121 1.368 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.413 3.180 1.820 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.358 2.232 1.251 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10