REMARK Name = BDB024198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.169 -1.783 -0.408 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.691 -3.219 -0.242 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.091 -3.918 -1.302 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.351 -5.231 -1.129 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.191 -5.865 0.101 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.418 -5.190 1.157 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.861 -3.877 0.987 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.046 -0.887 -1.006 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.977 -0.646 -0.114 0.00 0.00 -0.267 N ATOM 10 H LIG 1 -1.001 -1.115 0.782 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.112 -0.445 -2.154 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.077 0.137 -0.351 0.00 0.00 +0.147 A ATOM 13 N LIG 1 -2.997 0.243 0.606 0.00 0.00 -0.151 NA ATOM 14 N LIG 1 -3.952 1.065 0.096 0.00 0.00 -0.238 N ATOM 15 C LIG 1 -3.621 1.480 -1.175 0.00 0.00 +0.116 A ATOM 16 C LIG 1 -2.417 0.894 -1.485 0.00 0.00 +0.065 A BRANCH 14 17 ATOM 17 C LIG 1 -5.110 1.401 0.854 0.00 0.00 +0.065 A ATOM 18 C LIG 1 -5.267 0.870 2.144 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -6.395 1.187 2.905 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -7.371 2.034 2.385 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -7.223 2.566 1.105 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -6.096 2.253 0.338 0.00 0.00 +0.028 A ENDBRANCH 14 17 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 N LIG 1 2.375 -1.752 -1.264 0.00 0.00 -0.302 NA ATOM 24 H LIG 1 2.064 -1.597 -2.228 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 3.349 -0.724 -0.888 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 C LIG 1 2.922 0.723 -1.172 0.00 0.00 +0.050 C BRANCH 26 30 ATOM 27 C LIG 1 6.102 3.497 -0.245 0.00 0.00 +0.052 A ATOM 28 C LIG 1 5.161 3.155 0.732 0.00 0.00 +0.019 A ATOM 29 C LIG 1 4.130 2.262 0.431 0.00 0.00 +0.005 A ATOM 30 C LIG 1 4.026 1.704 -0.850 0.00 0.00 -0.046 A ATOM 31 C LIG 1 4.975 2.046 -1.823 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.006 2.939 -1.524 0.00 0.00 +0.019 A BRANCH 27 34 ATOM 33 N LIG 1 8.016 5.156 0.315 0.00 0.00 -0.191 NA ATOM 34 C LIG 1 7.159 4.413 0.063 0.00 0.00 +0.099 C ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9