REMARK Name = BDB021171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.438 0.588 0.152 0.00 0.00 +0.061 A ATOM 2 C LIG 1 -1.929 -0.592 0.774 0.00 0.00 +0.152 A ATOM 3 N LIG 1 -0.561 -0.692 0.895 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -0.293 -1.865 1.569 0.00 0.00 +0.131 A ATOM 5 CA LIG 1 -1.522 -2.460 1.802 0.00 0.00 +0.166 A ATOM 6 C LIG 1 0.321 0.295 0.424 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.146 1.386 -0.116 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -2.522 -1.650 1.288 0.00 0.00 -0.220 NA ATOM 9 C LIG 1 -1.517 1.496 -0.244 0.00 0.00 +0.128 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -6.947 1.879 -1.761 0.00 0.00 +0.067 C ATOM 11 C LIG 1 -5.817 1.435 -0.911 0.00 0.00 +0.061 A ATOM 12 N LIG 1 -6.031 1.062 0.352 0.00 0.00 -0.176 NA ATOM 13 N LIG 1 -4.811 0.701 0.813 0.00 0.00 -0.266 N ATOM 14 C LIG 1 -4.724 0.271 2.190 0.00 0.00 +0.173 C ATOM 15 C LIG 1 -3.810 0.873 -0.119 0.00 0.00 +0.074 A ATOM 16 C LIG 1 -4.452 1.349 -1.249 0.00 0.00 +0.052 A ENDBRANCH 1 15 BRANCH 5 17 ATOM 17 C LIG 1 -1.809 -3.734 2.478 0.00 0.00 +0.357 C ATOM 18 O LIG 1 -2.913 -4.259 2.503 0.00 0.00 -0.243 OA BRANCH 17 19 ATOM 19 OXT LIG 1 -0.746 -4.314 3.103 0.00 0.00 -0.476 OA ATOM 20 HXT LIG 1 0.056 -3.767 3.095 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 6 21 ATOM 21 N LIG 1 1.682 0.129 0.551 0.00 0.00 -0.310 N ATOM 22 H LIG 1 2.108 1.048 0.425 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 2.350 -0.784 -0.374 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 3.839 -0.605 -0.261 0.00 0.00 -0.024 A ATOM 25 C LIG 1 4.536 0.294 -1.062 0.00 0.00 +0.002 A ATOM 26 C LIG 1 4.065 1.157 -2.173 0.00 0.00 +0.080 C ATOM 27 C LIG 1 5.295 2.049 -2.335 0.00 0.00 +0.234 C ATOM 28 O LIG 1 6.450 1.354 -1.812 0.00 0.00 -0.491 OA ATOM 29 C LIG 1 5.911 0.447 -0.937 0.00 0.00 +0.124 A ATOM 30 C LIG 1 6.650 -0.270 -0.020 0.00 0.00 +0.046 A ATOM 31 C LIG 1 5.970 -1.158 0.813 0.00 0.00 +0.004 A ATOM 32 C LIG 1 4.578 -1.320 0.698 0.00 0.00 +0.005 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 6 21 TORSDOF 6