REMARK Name = BDB045157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.023 -0.012 -1.142 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.040 0.441 -0.358 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -0.889 1.461 -0.822 0.00 0.00 -0.044 A ATOM 4 C LIG 1 -0.656 2.023 -2.083 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.401 1.570 -2.870 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.234 0.556 -2.400 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.910 -0.996 -0.807 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.833 -1.526 0.517 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.950 -2.551 0.719 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 4.373 -0.499 3.002 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.853 -1.112 1.752 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.307 -1.943 0.796 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.254 -2.209 -0.169 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 6.315 -1.522 0.211 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.138 -0.831 1.382 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.621 -1.409 -0.433 0.00 0.00 +0.037 A ATOM 17 C LIG 1 8.657 -0.638 0.115 0.00 0.00 +0.013 A ATOM 18 C LIG 1 9.897 -0.549 -0.525 0.00 0.00 +0.001 A ATOM 19 C LIG 1 10.117 -1.230 -1.720 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.099 -2.000 -2.278 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.859 -2.088 -1.638 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -2.050 1.932 0.021 0.00 0.00 +0.041 C BRANCH 22 23 ATOM 23 C LIG 1 -3.188 0.912 0.086 0.00 0.00 +0.026 C ATOM 24 C LIG 1 -3.841 0.459 -1.227 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -5.137 -0.202 -0.746 0.00 0.00 +0.120 C ATOM 26 N LIG 1 -5.455 0.477 0.516 0.00 0.00 -0.329 N ATOM 27 C LIG 1 -4.380 1.378 0.927 0.00 0.00 +0.109 C BRANCH 26 28 ATOM 28 C LIG 1 -6.680 0.402 1.139 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -7.655 -0.529 0.746 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -8.902 -0.615 1.378 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -9.209 0.236 2.432 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.266 1.166 2.850 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -7.022 1.242 2.211 0.00 0.00 +0.023 A ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 -4.207 1.494 -2.261 0.00 0.00 +0.310 C ATOM 35 O LIG 1 -4.481 1.244 -3.426 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.278 2.761 -1.825 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -4.600 3.260 -2.606 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10