REMARK Name = BDB020437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.396 1.511 -1.079 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.164 0.975 -0.690 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.452 -0.181 -0.044 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.895 0.202 -0.061 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.175 1.526 -0.749 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -2.969 1.357 -2.049 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -2.800 2.562 0.186 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.752 -0.672 0.561 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -4.062 -0.299 0.629 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -4.395 0.183 -0.187 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.347 -1.721 1.063 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -0.774 1.886 -1.061 0.00 0.00 +0.066 A ATOM 13 N LIG 1 -0.126 2.913 -1.643 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -0.486 3.774 -2.045 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 1.207 2.704 -1.665 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.840 1.395 -1.270 0.00 0.00 +0.221 C ATOM 17 N LIG 1 2.612 0.895 -0.875 0.00 0.00 -0.268 N ATOM 18 H LIG 1 2.576 -0.000 -0.413 0.00 0.00 +0.156 HD ATOM 19 O LIG 1 4.053 2.435 -1.882 0.00 0.00 -0.275 OA BRANCH 16 23 ATOM 20 C LIG 1 7.627 -0.022 0.445 0.00 0.00 +0.073 C ATOM 21 C LIG 1 6.313 -0.421 1.123 0.00 0.00 +0.023 C ATOM 22 C LIG 1 5.148 0.461 0.679 0.00 0.00 +0.014 C ATOM 23 C LIG 1 4.991 0.470 -0.849 0.00 0.00 +0.075 C ATOM 24 C LIG 1 6.310 0.879 -1.520 0.00 0.00 +0.014 C ATOM 25 C LIG 1 7.471 -0.010 -1.080 0.00 0.00 +0.023 C BRANCH 20 27 ATOM 26 C LIG 1 10.010 -0.548 0.831 0.00 0.00 +0.237 C ATOM 27 N LIG 1 8.694 -0.930 0.843 0.00 0.00 -0.309 N ATOM 28 H LIG 1 8.461 -1.892 1.039 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 10.402 0.589 0.602 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 10.833 -2.921 0.952 0.00 0.00 +0.013 C ATOM 31 C LIG 1 10.989 -1.610 1.176 0.00 0.00 +0.059 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -5.070 -1.259 1.097 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 C LIG 1 -6.249 -0.582 1.796 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -7.390 -1.325 2.150 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -8.468 -0.727 2.809 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.418 0.621 3.148 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.286 1.368 2.841 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.208 0.769 2.181 0.00 0.00 +0.005 A ENDBRANCH 32 33 BRANCH 32 39 ATOM 39 C LIG 1 -5.452 -2.178 -0.116 0.00 0.00 +0.111 C BRANCH 39 40 ATOM 40 N LIG 1 -5.677 -1.460 -1.406 0.00 0.00 -0.306 NA ATOM 41 C LIG 1 -5.629 -2.421 -2.514 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -6.966 -0.764 -1.424 0.00 0.00 +0.104 C ENDBRANCH 39 40 ENDBRANCH 32 39 ENDBRANCH 9 32 TORSDOF 8