REMARK Name = BDB019435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.207 0.559 1.898 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.977 1.038 2.381 0.00 0.00 -0.286 N ATOM 3 C LIG 1 0.062 0.041 2.673 0.00 0.00 +0.164 C ATOM 4 C LIG 1 -0.124 -0.305 4.142 0.00 0.00 +0.065 C ATOM 5 C LIG 1 -0.388 1.075 4.728 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -1.125 1.835 3.603 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -2.616 -0.577 2.132 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.267 -1.156 1.730 0.00 0.00 +0.234 C ATOM 9 N LIG 1 0.160 -0.841 0.394 0.00 0.00 -0.310 N ATOM 10 H LIG 1 -0.011 0.124 0.123 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.651 -2.252 2.135 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 0.533 -1.767 -0.646 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 1.908 -1.451 -1.171 0.00 0.00 -0.030 A ATOM 14 C LIG 1 2.102 -0.418 -2.091 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.386 -0.116 -2.558 0.00 0.00 +0.004 A ATOM 16 C LIG 1 4.528 -0.817 -2.125 0.00 0.00 -0.044 A ATOM 17 C LIG 1 4.303 -1.842 -1.185 0.00 0.00 +0.004 A ATOM 18 C LIG 1 3.024 -2.153 -0.710 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 5.973 -0.451 -2.668 0.00 0.00 +0.019 C ATOM 20 C LIG 1 6.873 -1.584 -3.242 0.00 0.00 +0.008 C ATOM 21 C LIG 1 8.083 -0.811 -2.680 0.00 0.00 +0.001 C ATOM 22 C LIG 1 7.120 -0.189 -1.650 0.00 0.00 +0.008 C ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 O LIG 1 0.849 1.725 5.017 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 1.310 1.195 5.691 0.00 0.00 +0.210 HD ENDBRANCH 5 23 BRANCH 1 25 ATOM 25 C LIG 1 -2.947 1.559 0.964 0.00 0.00 +0.165 C BRANCH 25 26 ATOM 26 N LIG 1 -3.181 0.875 -0.320 0.00 0.00 -0.281 N ATOM 27 C LIG 1 -2.208 0.805 -1.306 0.00 0.00 +0.248 C ATOM 28 O LIG 1 -1.115 1.341 -1.321 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -2.712 -0.103 -2.340 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -3.919 -0.637 -1.894 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -4.608 -1.550 -2.673 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -4.059 -1.909 -3.909 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.838 -1.361 -4.347 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -2.147 -0.443 -3.555 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -4.249 -0.095 -0.542 0.00 0.00 +0.144 C ENDBRANCH 25 26 BRANCH 25 37 ATOM 36 C LIG 1 -3.976 3.582 2.135 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -4.242 2.200 1.528 0.00 0.00 +0.012 C ATOM 38 C LIG 1 -5.008 1.330 2.526 0.00 0.00 +0.009 C ENDBRANCH 25 37 ENDBRANCH 1 25 TORSDOF 8