REMARK Name = BDB038955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.831 0.118 -0.557 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.668 0.816 -0.282 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.429 0.049 -0.224 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.247 0.800 0.334 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.336 2.158 0.714 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.227 2.826 1.249 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.007 2.187 1.396 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.095 0.849 0.991 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -1.141 -0.068 0.953 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.616 -1.278 0.525 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.653 -1.123 0.186 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.655 2.879 0.594 0.00 0.00 +0.054 C ATOM 13 C LIG 1 0.997 0.164 0.480 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.544 2.255 -0.477 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.903 -1.104 -0.607 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.266 -2.633 0.403 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.092 -3.117 1.590 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -2.397 -4.616 1.472 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -2.550 -5.101 0.026 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -2.986 -3.986 -0.918 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.985 -2.826 -0.939 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.117 0.253 -1.046 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.897 0.940 -0.768 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.480 0.262 1.410 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -3.481 0.859 0.392 0.00 0.00 +0.147 C BRANCH 25 26 ATOM 26 C LIG 1 -2.920 1.940 -0.520 0.00 0.00 -0.032 A ATOM 27 C LIG 1 -2.105 1.631 -1.621 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -1.576 2.643 -2.425 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.857 3.978 -2.144 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -2.668 4.302 -1.060 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.195 3.292 -0.252 0.00 0.00 +0.004 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -4.304 -0.223 -0.275 0.00 0.00 +0.314 C ATOM 33 O LIG 1 -4.714 -1.232 0.281 0.00 0.00 -0.250 OA BRANCH 32 34 ATOM 34 O LIG 1 -4.661 0.012 -1.549 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -5.217 -0.753 -1.806 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7