REMARK Name = BDB022733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.716 -2.086 -1.258 0.00 0.00 -0.309 N ATOM 2 H LIG 1 -2.115 -3.011 -1.366 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 -2.839 2.253 0.019 0.00 0.00 +0.019 A ATOM 4 C LIG 1 -3.422 1.024 -0.217 0.00 0.00 +0.166 A ATOM 5 N LIG 1 -2.404 0.177 -0.570 0.00 0.00 -0.183 N ATOM 6 C LIG 1 -2.678 -1.163 -0.893 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -3.922 -1.563 -0.856 0.00 0.00 -0.181 NA ATOM 8 C LIG 1 -4.909 -0.678 -0.480 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -1.191 0.778 -0.610 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -4.699 0.572 -0.166 0.00 0.00 -0.195 NA ATOM 11 C LIG 1 -1.464 2.033 -0.243 0.00 0.00 +0.141 A BRANCH 3 13 ATOM 12 C LIG 1 -3.347 4.629 -0.594 0.00 0.00 +0.012 C ATOM 13 C LIG 1 -3.517 3.519 0.445 0.00 0.00 +0.018 C ATOM 14 C LIG 1 -3.025 3.987 1.816 0.00 0.00 +0.012 C ENDBRANCH 3 13 BRANCH 8 15 ATOM 15 N LIG 1 -6.165 -1.211 -0.464 0.00 0.00 -0.310 N ATOM 16 H LIG 1 -6.215 -2.098 -0.955 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 -7.377 -0.407 -0.524 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -7.588 0.141 -1.934 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -7.867 -0.975 -2.939 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -8.402 -2.156 -2.337 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -9.316 -1.864 -1.287 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -8.578 -1.262 -0.096 0.00 0.00 +0.050 C ENDBRANCH 15 17 ENDBRANCH 8 15 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 -0.347 -2.116 -0.765 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 C LIG 1 -0.225 -2.374 0.727 0.00 0.00 -0.009 A ATOM 25 C LIG 1 0.976 -2.042 1.402 0.00 0.00 +0.034 A ATOM 26 C LIG 1 1.080 -2.322 2.777 0.00 0.00 +0.023 A ATOM 27 C LIG 1 0.044 -2.946 3.473 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -1.117 -3.304 2.805 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.248 -3.028 1.444 0.00 0.00 +0.007 A BRANCH 25 30 ATOM 30 N LIG 1 2.021 -1.410 0.705 0.00 0.00 -0.327 N ATOM 31 C LIG 1 3.374 -1.962 0.898 0.00 0.00 +0.124 C ATOM 32 C LIG 1 4.407 -1.135 0.110 0.00 0.00 +0.127 C ATOM 33 N LIG 1 4.401 0.287 0.489 0.00 0.00 -0.295 N ATOM 34 C LIG 1 5.436 1.178 0.279 0.00 0.00 +0.239 C ATOM 35 O LIG 1 5.451 2.309 0.759 0.00 0.00 -0.271 OA ATOM 36 C LIG 1 3.217 0.748 1.225 0.00 0.00 +0.127 C ATOM 37 C LIG 1 1.919 0.074 0.743 0.00 0.00 +0.124 C BRANCH 34 38 ATOM 38 C LIG 1 6.557 0.711 -0.583 0.00 0.00 +0.064 C ATOM 39 C LIG 1 7.733 1.359 -0.571 0.00 0.00 -0.007 C BRANCH 39 40 ATOM 40 C LIG 1 8.904 0.989 -1.435 0.00 0.00 +0.111 C BRANCH 40 41 ATOM 41 N LIG 1 10.119 0.583 -0.725 0.00 0.00 -0.305 NA ATOM 42 C LIG 1 9.929 -0.614 0.089 0.00 0.00 +0.104 C ATOM 43 C LIG 1 10.717 1.664 0.053 0.00 0.00 +0.104 C ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 34 38 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 10