REMARK Name = BDB032126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.124 -0.869 -0.410 0.00 0.00 +0.069 A ATOM 2 C LIG 1 0.590 -0.311 -1.575 0.00 0.00 +0.146 A ATOM 3 F LIG 1 1.421 0.116 -2.541 0.00 0.00 -0.203 F ATOM 4 C LIG 1 -0.784 -0.183 -1.770 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -1.670 -0.614 -0.780 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.147 -1.173 0.389 0.00 0.00 +0.025 A ATOM 7 C LIG 1 0.240 -1.300 0.574 0.00 0.00 +0.028 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 3.284 -1.497 0.703 0.00 0.00 +0.222 C ATOM 9 N LIG 1 2.532 -0.946 -0.320 0.00 0.00 -0.283 N ATOM 10 H LIG 1 3.023 -0.588 -1.133 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 2.837 -2.032 1.711 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 7.150 1.586 0.141 0.00 0.00 +0.239 C ATOM 13 N LIG 1 6.609 0.360 0.502 0.00 0.00 -0.297 N ATOM 14 C LIG 1 5.186 0.113 0.766 0.00 0.00 +0.120 C ATOM 15 C LIG 1 4.785 -1.336 0.471 0.00 0.00 +0.093 C ATOM 16 C LIG 1 5.624 -2.321 1.302 0.00 0.00 +0.016 C ATOM 17 C LIG 1 7.043 -1.818 1.576 0.00 0.00 +0.020 C ATOM 18 C LIG 1 7.505 -0.794 0.547 0.00 0.00 +0.108 C ATOM 19 O LIG 1 8.301 1.713 -0.271 0.00 0.00 -0.271 OA BRANCH 12 21 ATOM 20 C LIG 1 6.550 3.914 -0.359 0.00 0.00 +0.013 C ATOM 21 C LIG 1 6.269 2.777 0.290 0.00 0.00 +0.060 C ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 5 22 ATOM 22 N LIG 1 -3.049 -0.463 -1.037 0.00 0.00 -0.280 N ATOM 23 H LIG 1 -3.291 -0.040 -1.925 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -4.098 -0.733 -0.168 0.00 0.00 +0.267 C ATOM 25 O LIG 1 -4.010 -1.100 0.997 0.00 0.00 -0.268 OA BRANCH 24 26 ATOM 26 C LIG 1 -5.455 -0.519 -0.761 0.00 0.00 +0.126 A ATOM 27 N LIG 1 -6.310 0.236 -0.028 0.00 0.00 -0.241 NA ATOM 28 C LIG 1 -7.543 0.442 -0.543 0.00 0.00 +0.089 A ATOM 29 C LIG 1 -7.948 -0.071 -1.770 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -7.050 -0.844 -2.503 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.777 -1.078 -1.993 0.00 0.00 +0.033 A BRANCH 28 32 ATOM 32 C LIG 1 -8.406 1.250 0.300 0.00 0.00 +0.084 A ATOM 33 N LIG 1 -8.007 1.669 1.545 0.00 0.00 -0.275 N ATOM 34 H LIG 1 -7.116 1.469 1.991 0.00 0.00 +0.189 HD ATOM 35 N LIG 1 -8.921 2.414 2.192 0.00 0.00 -0.182 NA ATOM 36 C LIG 1 -9.944 2.463 1.338 0.00 0.00 +0.135 A ATOM 37 C LIG 1 -9.682 1.758 0.148 0.00 0.00 +0.050 A ENDBRANCH 28 32 ENDBRANCH 24 26 ENDBRANCH 5 22 TORSDOF 6