REMARK Name = BDB038434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.804 -1.745 -2.142 0.00 0.00 +0.121 A ATOM 2 N LIG 1 2.475 -1.561 -2.077 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.992 -0.389 -1.596 0.00 0.00 +0.131 A ATOM 4 C LIG 1 2.838 0.615 -1.143 0.00 0.00 +0.052 A ATOM 5 C LIG 1 4.224 0.428 -1.198 0.00 0.00 -0.011 A ATOM 6 C LIG 1 4.702 -0.775 -1.727 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.591 -0.251 -1.582 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.152 0.869 -1.234 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.196 1.981 -0.885 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.565 0.495 -1.379 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.629 -0.818 -1.831 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -2.852 -1.421 -2.057 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.010 -0.672 -1.813 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.944 0.663 -1.344 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -2.692 1.258 -1.131 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.249 -1.361 -2.001 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.215 1.452 -1.099 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 -6.160 0.769 -0.203 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 -5.685 0.708 1.182 0.00 0.00 +0.088 C ATOM 20 C LIG 1 -6.561 -0.274 1.987 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -6.334 -0.068 3.486 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -8.054 -0.163 1.627 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -8.362 1.172 0.962 0.00 0.00 +0.016 C ATOM 24 C LIG 1 -7.490 1.399 -0.280 0.00 0.00 +0.085 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 25 ATOM 25 C LIG 1 5.159 1.480 -0.752 0.00 0.00 -0.007 A ATOM 26 C LIG 1 5.209 1.970 0.575 0.00 0.00 +0.027 A ATOM 27 C LIG 1 6.092 3.018 0.895 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.943 3.563 -0.065 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.917 3.074 -1.364 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.033 2.048 -1.704 0.00 0.00 +0.009 A BRANCH 26 31 ATOM 31 C LIG 1 4.373 1.452 1.659 0.00 0.00 +0.164 A ATOM 32 N LIG 1 4.396 0.180 2.177 0.00 0.00 -0.317 N ATOM 33 C LIG 1 5.257 -0.915 1.828 0.00 0.00 +0.152 C ATOM 34 C LIG 1 3.474 0.155 3.180 0.00 0.00 +0.225 A ATOM 35 N LIG 1 2.939 1.344 3.314 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 3.515 2.163 2.372 0.00 0.00 -0.129 NA ENDBRANCH 26 31 ENDBRANCH 5 25 BRANCH 1 37 ATOM 37 N LIG 1 4.212 -2.955 -2.692 0.00 0.00 -0.329 N ATOM 38 H LIG 1 3.350 -3.450 -2.921 0.00 0.00 +0.147 HD BRANCH 37 40 ATOM 39 C LIG 1 4.427 -4.426 -0.725 0.00 0.00 +0.024 C ATOM 40 C LIG 1 5.128 -3.778 -1.909 0.00 0.00 +0.099 C ENDBRANCH 37 40 ENDBRANCH 1 37 TORSDOF 7