REMARK Name = BDB034651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.345 -0.883 0.898 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.779 -1.733 0.935 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -0.282 0.289 1.285 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.049 -1.208 1.482 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.645 -0.080 0.610 0.00 0.00 +0.038 C ATOM 6 C LIG 1 2.838 1.220 1.401 0.00 0.00 +0.092 C ATOM 7 C LIG 1 3.604 0.968 2.715 0.00 0.00 +0.094 C ATOM 8 N LIG 1 3.227 -0.251 3.448 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 3.165 -0.046 4.446 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 1.958 -0.815 2.979 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 3.516 2.271 0.594 0.00 0.00 +0.222 A ATOM 12 O LIG 1 4.669 1.934 -0.066 0.00 0.00 -0.424 OA ATOM 13 C LIG 1 5.002 3.117 -0.675 0.00 0.00 +0.225 A ATOM 14 N LIG 1 4.144 4.079 -0.403 0.00 0.00 -0.112 NA ATOM 15 N LIG 1 3.183 3.531 0.419 0.00 0.00 -0.112 NA BRANCH 13 16 ATOM 16 C LIG 1 6.234 3.314 -1.584 0.00 0.00 +0.128 C ATOM 17 C LIG 1 7.519 2.648 -1.095 0.00 0.00 +0.175 C ATOM 18 O LIG 1 7.687 1.964 -2.363 0.00 0.00 -0.378 OA ATOM 19 C LIG 1 6.337 2.330 -2.747 0.00 0.00 +0.175 C ENDBRANCH 13 16 ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 21 ATOM 20 C LIG 1 -2.481 -0.460 -0.365 0.00 0.00 +0.059 A ATOM 21 C LIG 1 -1.665 -1.354 0.353 0.00 0.00 +0.146 A ATOM 22 N LIG 1 -2.026 -2.628 0.658 0.00 0.00 -0.248 NA ATOM 23 C LIG 1 -3.227 -3.046 0.197 0.00 0.00 +0.115 A ATOM 24 C LIG 1 -4.118 -2.286 -0.563 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -3.697 -0.973 -0.840 0.00 0.00 +0.030 A BRANCH 24 26 ATOM 26 C LIG 1 -5.431 -2.878 -1.037 0.00 0.00 +0.021 C ATOM 27 C LIG 1 -5.995 -2.534 -2.395 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -6.676 -2.032 -1.154 0.00 0.00 +0.009 C ENDBRANCH 24 26 BRANCH 20 29 ATOM 29 N LIG 1 -2.055 0.854 -0.705 0.00 0.00 -0.339 N ATOM 30 H LIG 1 -1.347 1.167 -0.025 0.00 0.00 +0.146 HD BRANCH 29 33 ATOM 31 C LIG 1 -3.383 3.939 -0.690 0.00 0.00 +0.121 C ATOM 32 C LIG 1 -2.144 3.253 -1.316 0.00 0.00 +0.054 C ATOM 33 C LIG 1 -2.896 1.913 -1.176 0.00 0.00 +0.075 C ATOM 34 C LIG 1 -3.731 2.570 -0.057 0.00 0.00 +0.054 C BRANCH 31 36 ATOM 35 C LIG 1 -5.455 5.146 -1.078 0.00 0.00 +0.194 C ATOM 36 O LIG 1 -4.339 4.468 -1.638 0.00 0.00 -0.380 OA ENDBRANCH 31 36 ENDBRANCH 29 33 ENDBRANCH 20 29 ENDBRANCH 1 21 BRANCH 2 37 ATOM 37 C LIG 1 0.844 -3.009 0.203 0.00 0.00 +0.111 C BRANCH 37 38 ATOM 38 C LIG 1 0.612 -4.253 1.085 0.00 0.00 +0.000 C ATOM 39 C LIG 1 0.210 -5.440 0.205 0.00 0.00 +0.009 C ATOM 40 C LIG 1 1.846 -4.632 1.906 0.00 0.00 +0.009 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 10