REMARK Name = BDB031737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.168 -0.736 2.331 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.574 -1.587 1.380 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.587 -1.158 0.727 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.204 0.057 0.989 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.336 0.100 0.112 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -2.400 -1.007 -0.638 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.639 0.896 1.966 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.351 -1.742 -0.243 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.205 -2.642 -0.683 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.534 0.485 2.620 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.780 -0.475 -1.486 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.412 -0.327 -0.143 0.00 0.00 +0.052 A ATOM 13 C LIG 1 3.933 -1.206 0.799 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.745 -1.352 2.284 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.444 -1.143 3.034 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.647 -2.506 2.655 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.243 -2.949 1.488 0.00 0.00 -0.284 N ATOM 18 H LIG 1 5.899 -3.715 1.467 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 4.800 -2.948 3.782 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.590 -0.162 3.185 0.00 0.00 +0.031 C ATOM 21 C LIG 1 4.837 -2.196 0.384 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.236 -2.357 -0.924 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.692 -1.480 -1.864 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.267 1.201 -2.232 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.326 0.295 -2.523 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.187 1.165 0.095 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -2.957 1.900 0.761 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.291 1.370 -0.672 0.00 0.00 +0.082 A ATOM 29 C LIG 1 -5.149 2.511 -0.647 0.00 0.00 +0.186 A ATOM 30 N LIG 1 -6.151 2.382 -1.545 0.00 0.00 -0.165 NA ATOM 31 N LIG 1 -5.925 1.186 -2.116 0.00 0.00 -0.272 N ATOM 32 C LIG 1 -6.820 0.709 -3.143 0.00 0.00 +0.172 C ATOM 33 C LIG 1 -4.827 0.547 -1.631 0.00 0.00 +0.131 A BRANCH 29 34 ATOM 34 C LIG 1 -5.016 3.721 0.228 0.00 0.00 +0.438 C ATOM 35 F LIG 1 -3.930 3.630 1.056 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -4.848 4.870 -0.481 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -6.090 3.909 1.040 0.00 0.00 -0.164 F ENDBRANCH 29 34 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5