REMARK Name = BDB034600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.326 -0.521 -1.592 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.414 -1.046 -2.041 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.040 0.787 -1.221 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -0.829 1.603 -0.757 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.938 -1.323 -0.825 0.00 0.00 -0.035 A ATOM 6 C LIG 1 -2.713 -0.623 -0.924 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -1.563 -1.192 -1.480 0.00 0.00 +0.034 A ATOM 8 C LIG 1 -1.623 -2.506 -1.949 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -2.808 -3.233 -1.857 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -3.945 -2.648 -1.299 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 -5.244 -0.642 -0.174 0.00 0.00 +0.049 C ATOM 12 C LIG 1 -5.553 0.813 -0.635 0.00 0.00 +0.174 C ATOM 13 O LIG 1 -6.962 0.497 -0.779 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 -6.615 -0.916 -0.871 0.00 0.00 +0.174 C BRANCH 11 15 ATOM 15 C LIG 1 -5.173 -0.797 1.361 0.00 0.00 +0.092 C BRANCH 15 18 ATOM 16 C LIG 1 -6.852 1.598 2.573 0.00 0.00 +0.151 C ATOM 17 N LIG 1 -7.180 0.200 2.596 0.00 0.00 -0.320 N ATOM 18 C LIG 1 -6.473 -0.858 2.087 0.00 0.00 +0.134 A ATOM 19 N LIG 1 -7.136 -1.968 2.355 0.00 0.00 -0.135 NA ATOM 20 N LIG 1 -8.287 -1.635 3.025 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 -8.302 -0.331 3.157 0.00 0.00 +0.224 A ENDBRANCH 15 18 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 1.387 1.195 -1.436 0.00 0.00 +0.127 A ATOM 23 N LIG 1 1.581 2.417 -1.993 0.00 0.00 -0.238 NA ATOM 24 C LIG 1 2.863 2.832 -2.191 0.00 0.00 +0.145 A ATOM 25 C LIG 1 3.957 2.028 -1.853 0.00 0.00 +0.037 A ATOM 26 C LIG 1 3.744 0.772 -1.273 0.00 0.00 -0.029 A ATOM 27 C LIG 1 2.427 0.349 -1.069 0.00 0.00 +0.038 A BRANCH 24 28 ATOM 28 C LIG 1 3.125 4.195 -2.822 0.00 0.00 +0.434 C ATOM 29 F LIG 1 3.645 4.087 -4.080 0.00 0.00 -0.164 F ATOM 30 F LIG 1 4.039 4.925 -2.116 0.00 0.00 -0.164 F ATOM 31 F LIG 1 2.026 4.989 -2.938 0.00 0.00 -0.164 F ENDBRANCH 24 28 BRANCH 26 32 ATOM 32 C LIG 1 4.915 -0.117 -0.905 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 4.773 -0.724 0.429 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 5.837 -1.724 0.662 0.00 0.00 +0.091 C ATOM 35 C LIG 1 6.973 -0.933 1.261 0.00 0.00 -0.015 C ATOM 36 C LIG 1 8.372 -1.048 0.693 0.00 0.00 +0.009 C ATOM 37 C LIG 1 8.064 -1.635 2.039 0.00 0.00 +0.009 C ATOM 38 C LIG 1 6.458 0.403 1.709 0.00 0.00 +0.023 C ATOM 39 C LIG 1 4.951 0.261 1.519 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 3 22 TORSDOF 8