REMARK Name = BDB024336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.621 -0.635 -0.298 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.753 -2.122 -0.002 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.141 -3.005 -1.023 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.271 -4.372 -0.771 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.025 -4.873 0.505 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.658 -4.008 1.533 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.529 -2.640 1.285 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.677 -0.044 0.329 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.809 -0.378 -0.384 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.731 -1.015 -1.166 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.650 0.643 1.350 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.131 -0.017 -0.133 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -4.003 -0.556 -1.010 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -5.318 -0.261 -0.847 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -5.827 0.555 0.157 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -4.898 1.102 1.042 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -3.537 0.815 0.899 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -7.244 0.841 0.284 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -8.268 0.049 -0.192 0.00 0.00 +0.113 A ATOM 20 N LIG 1 -9.434 0.673 0.152 0.00 0.00 -0.284 N ATOM 21 H LIG 1 -10.386 0.374 -0.032 0.00 0.00 +0.188 HD ATOM 22 N LIG 1 -9.246 1.822 0.818 0.00 0.00 -0.182 NA ATOM 23 C LIG 1 -7.917 1.922 0.902 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 1.820 0.079 0.189 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 1.729 0.172 1.203 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 1.961 1.413 -0.407 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 3.215 3.610 -0.359 0.00 0.00 +0.014 C ATOM 28 C LIG 1 3.194 2.165 0.156 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 4.513 1.467 -0.151 0.00 0.00 -0.043 A ATOM 30 C LIG 1 4.960 1.280 -1.468 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.171 0.631 -1.725 0.00 0.00 +0.019 A ATOM 32 C LIG 1 6.952 0.158 -0.668 0.00 0.00 +0.052 A ATOM 33 C LIG 1 6.517 0.338 0.647 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.306 0.988 0.903 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 8.193 -0.510 -0.932 0.00 0.00 +0.099 C ATOM 36 N LIG 1 9.199 -1.048 -1.148 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9