REMARK Name = BDB018132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.657 1.171 0.070 0.00 0.00 +0.143 C ATOM 2 C LIG 1 1.729 0.902 1.141 0.00 0.00 +0.202 C ATOM 3 C LIG 1 2.126 -0.564 0.898 0.00 0.00 +0.253 C ATOM 4 O LIG 1 1.032 -1.197 0.184 0.00 0.00 -0.344 OA ATOM 5 C LIG 1 -0.012 -0.217 0.008 0.00 0.00 +0.196 C ENDROOT BRANCH 3 6 ATOM 6 N LIG 1 3.358 -0.738 0.131 0.00 0.00 -0.303 N ATOM 7 C LIG 1 4.596 -0.335 0.575 0.00 0.00 +0.148 A ATOM 8 C LIG 1 5.533 -0.664 -0.395 0.00 0.00 +0.058 A ATOM 9 C LIG 1 6.865 -0.321 -0.126 0.00 0.00 +0.129 A ATOM 10 N LIG 1 7.158 0.293 1.037 0.00 0.00 -0.220 NA ATOM 11 C LIG 1 6.149 0.556 1.891 0.00 0.00 +0.225 A ATOM 12 C LIG 1 4.826 -1.297 -1.453 0.00 0.00 +0.033 A ATOM 13 N LIG 1 4.843 0.280 1.742 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 3.494 -1.343 -1.098 0.00 0.00 +0.091 A BRANCH 9 15 ATOM 15 N LIG 1 7.919 -0.594 -0.986 0.00 0.00 -0.343 N ATOM 16 H LIG 1 7.790 -1.413 -1.563 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 8.802 -0.528 -0.493 0.00 0.00 +0.144 HD ENDBRANCH 9 15 ENDBRANCH 3 6 BRANCH 1 19 ATOM 18 C LIG 1 0.782 2.654 -2.008 0.00 0.00 +0.007 C ATOM 19 C LIG 1 1.257 1.666 -1.235 0.00 0.00 +0.005 C ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 O LIG 1 1.147 1.039 2.458 0.00 0.00 -0.384 OA ATOM 21 H LIG 1 0.360 1.613 2.349 0.00 0.00 +0.210 HD ENDBRANCH 2 20 BRANCH 1 22 ATOM 22 O LIG 1 -0.247 2.158 0.594 0.00 0.00 -0.379 OA ATOM 23 H LIG 1 0.180 3.026 0.482 0.00 0.00 +0.211 HD ENDBRANCH 1 22 BRANCH 5 24 ATOM 24 C LIG 1 -0.810 -0.541 -1.260 0.00 0.00 +0.264 C BRANCH 24 25 ATOM 25 O LIG 1 -1.842 0.405 -1.532 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.036 0.288 -0.879 0.00 0.00 +0.123 A ATOM 27 C LIG 1 -3.410 -0.735 -0.005 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -4.658 -0.754 0.607 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -5.560 0.292 0.329 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.810 0.264 0.955 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -7.120 -0.781 1.817 0.00 0.00 +0.044 A ATOM 32 C LIG 1 -6.175 -1.772 2.025 0.00 0.00 +0.117 A ATOM 33 C LIG 1 -5.197 1.323 -0.549 0.00 0.00 +0.013 A ATOM 34 N LIG 1 -4.965 -1.765 1.441 0.00 0.00 -0.232 NA ATOM 35 C LIG 1 -3.939 1.315 -1.148 0.00 0.00 +0.046 A BRANCH 32 36 ATOM 36 N LIG 1 -6.437 -2.826 2.896 0.00 0.00 -0.343 N ATOM 37 H LIG 1 -5.630 -3.443 2.861 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -7.292 -3.310 2.648 0.00 0.00 +0.144 HD ENDBRANCH 32 36 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 9