REMARK Name = BDB027147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.136 1.033 -2.498 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.905 1.363 -3.968 0.00 0.00 -0.023 A ATOM 3 C LIG 1 2.504 0.567 -4.960 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.315 0.852 -6.313 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.536 1.941 -6.695 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.953 2.753 -5.724 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.142 2.471 -4.369 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.846 1.222 -1.649 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.675 2.254 -0.992 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -3.745 -0.683 0.463 0.00 0.00 -0.042 A ATOM 11 C LIG 1 -3.199 -1.506 -0.537 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -2.005 -1.108 -1.155 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -1.335 0.068 -0.823 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -0.161 0.151 -1.647 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -0.167 -0.980 -2.447 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -1.892 0.884 0.182 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -1.280 -1.721 -2.147 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -1.541 -2.591 -2.591 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -3.084 0.501 0.811 0.00 0.00 +0.004 A BRANCH 10 24 ATOM 20 C LIG 1 -8.271 -0.189 3.560 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -6.834 -0.074 3.331 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -6.522 0.729 2.142 0.00 0.00 +0.084 C ATOM 23 C LIG 1 -6.195 -0.098 0.898 0.00 0.00 +0.023 C ATOM 24 C LIG 1 -5.045 -1.095 1.140 0.00 0.00 +0.021 C ATOM 25 C LIG 1 -4.844 -1.392 2.636 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -6.191 -1.394 3.354 0.00 0.00 +0.084 C ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 3.248 1.876 -1.982 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 2.855 2.813 -1.849 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 3.780 1.422 -0.690 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 4.684 0.187 -0.812 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 5.285 -0.197 0.520 0.00 0.00 -0.046 A ATOM 32 C LIG 1 4.553 -0.968 1.434 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.099 -1.308 2.675 0.00 0.00 +0.013 A ATOM 34 C LIG 1 6.389 -0.882 3.015 0.00 0.00 +0.037 A ATOM 35 C LIG 1 7.114 -0.095 2.113 0.00 0.00 +0.013 A ATOM 36 C LIG 1 6.567 0.243 0.873 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 7.016 -1.215 4.322 0.00 0.00 +0.242 C ATOM 38 O LIG 1 7.950 -0.566 4.774 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 6.539 -2.308 4.992 0.00 0.00 -0.325 N ATOM 40 H LIG 1 5.992 -3.021 4.532 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 7.069 -2.585 5.808 0.00 0.00 +0.145 HD ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9