REMARK Name = BDB022681 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.300 -0.784 1.668 0.00 0.00 -0.309 N ATOM 2 H LIG 1 0.323 -0.018 2.340 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.801 -0.777 0.839 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -1.598 0.373 0.833 0.00 0.00 -0.183 N ATOM 5 C LIG 1 -2.699 0.460 0.037 0.00 0.00 +0.166 A ATOM 6 C LIG 1 -3.246 1.704 0.287 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -2.373 2.272 1.258 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -3.024 -0.577 -0.774 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -2.261 -1.636 -0.740 0.00 0.00 +0.220 A ATOM 10 N LIG 1 -1.370 1.460 1.608 0.00 0.00 -0.170 NA ATOM 11 N LIG 1 -1.144 -1.766 0.065 0.00 0.00 -0.181 NA BRANCH 6 12 ATOM 12 C LIG 1 -4.472 2.304 -0.332 0.00 0.00 +0.018 C ATOM 13 C LIG 1 -4.127 3.522 -1.193 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -5.518 2.670 0.724 0.00 0.00 +0.012 C ENDBRANCH 6 12 BRANCH 9 15 ATOM 15 N LIG 1 -2.499 -2.731 -1.522 0.00 0.00 -0.310 N ATOM 16 H LIG 1 -1.708 -3.363 -1.506 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 -3.289 -2.765 -2.741 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -2.775 -1.791 -3.800 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -3.645 -1.881 -5.046 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -5.017 -1.658 -4.730 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -5.535 -2.619 -3.808 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -4.782 -2.568 -2.485 0.00 0.00 +0.050 C ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 0.965 -1.998 2.070 0.00 0.00 +0.139 C BRANCH 23 26 ATOM 24 C LIG 1 4.433 -0.719 3.045 0.00 0.00 +0.034 A ATOM 25 C LIG 1 3.316 -1.101 2.289 0.00 0.00 +0.028 A ATOM 26 C LIG 1 2.174 -1.647 2.900 0.00 0.00 -0.029 A ATOM 27 C LIG 1 2.165 -1.813 4.290 0.00 0.00 +0.005 A ATOM 28 C LIG 1 3.278 -1.448 5.046 0.00 0.00 +0.002 A ATOM 29 C LIG 1 4.407 -0.902 4.427 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 30 C LIG 1 6.666 0.409 2.865 0.00 0.00 +0.234 C ATOM 31 N LIG 1 5.516 -0.156 2.345 0.00 0.00 -0.284 N ATOM 32 H LIG 1 5.410 -0.087 1.331 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 6.981 0.476 4.050 0.00 0.00 -0.274 OA BRANCH 30 34 ATOM 34 C LIG 1 7.594 0.964 1.777 0.00 0.00 +0.200 C BRANCH 34 36 ATOM 35 C LIG 1 6.123 1.878 0.026 0.00 0.00 +0.237 C ATOM 36 N LIG 1 6.993 2.081 1.063 0.00 0.00 -0.303 N ATOM 37 H LIG 1 7.135 3.010 1.436 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 5.768 0.763 -0.339 0.00 0.00 -0.271 OA BRANCH 35 40 ATOM 39 C LIG 1 4.716 3.086 -1.570 0.00 0.00 +0.013 C ATOM 40 C LIG 1 5.605 3.132 -0.569 0.00 0.00 +0.059 C ENDBRANCH 35 40 ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 24 31 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 10