REMARK Name = BDB001956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.995 1.443 -0.580 0.00 0.00 +0.225 A ATOM 2 N LIG 1 0.296 1.443 -0.890 0.00 0.00 -0.181 NA ATOM 3 C LIG 1 0.853 0.257 -1.060 0.00 0.00 +0.222 A ATOM 4 N LIG 1 0.204 -0.891 -0.948 0.00 0.00 -0.181 NA ATOM 5 C LIG 1 -1.079 -0.808 -0.628 0.00 0.00 +0.225 A ATOM 6 N LIG 1 -1.715 0.339 -0.434 0.00 0.00 -0.181 NA ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -1.547 2.709 -0.388 0.00 0.00 -0.283 N ATOM 8 H LIG 1 -0.821 3.402 -0.509 0.00 0.00 +0.155 HD BRANCH 7 12 ATOM 9 C LIG 1 -5.410 4.260 0.387 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -4.278 5.094 0.406 0.00 0.00 +0.163 A ATOM 11 C LIG 1 -3.014 4.549 0.138 0.00 0.00 +0.072 A ATOM 12 C LIG 1 -2.842 3.185 -0.155 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -3.979 2.375 -0.155 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -5.250 2.902 0.107 0.00 0.00 +0.051 A BRANCH 9 16 ATOM 15 C LIG 1 -7.777 4.049 0.630 0.00 0.00 +0.277 C ATOM 16 O LIG 1 -6.613 4.862 0.655 0.00 0.00 -0.491 OA ENDBRANCH 9 16 BRANCH 10 17 ATOM 17 O LIG 1 -4.510 6.417 0.693 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.389 7.286 0.763 0.00 0.00 +0.277 C ENDBRANCH 10 17 ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 3 19 ATOM 19 N LIG 1 2.209 0.258 -1.376 0.00 0.00 -0.302 N ATOM 20 H LIG 1 2.569 1.142 -1.017 0.00 0.00 +0.150 HD BRANCH 19 21 ATOM 21 C LIG 1 2.955 -0.897 -0.851 0.00 0.00 +0.163 C BRANCH 21 22 ATOM 22 C LIG 1 2.944 -0.930 0.691 0.00 0.00 +0.231 C ATOM 23 O LIG 1 2.881 0.068 1.404 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 3.025 -2.173 1.262 0.00 0.00 -0.328 N ATOM 25 H LIG 1 2.631 -2.967 0.772 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 2.882 -2.172 2.266 0.00 0.00 +0.145 HD ENDBRANCH 21 22 BRANCH 21 27 ATOM 27 C LIG 1 4.398 -0.927 -1.386 0.00 0.00 +0.069 C BRANCH 27 28 ATOM 28 C LIG 1 5.220 0.301 -1.118 0.00 0.00 -0.019 A ATOM 29 C LIG 1 6.085 0.539 -0.002 0.00 0.00 +0.022 A ATOM 30 C LIG 1 6.655 1.795 -0.185 0.00 0.00 +0.138 A ATOM 31 N LIG 1 7.533 2.427 0.615 0.00 0.00 -0.237 NA ATOM 32 C LIG 1 7.852 1.705 1.713 0.00 0.00 +0.113 A ATOM 33 C LIG 1 7.363 0.443 2.025 0.00 0.00 +0.020 A ATOM 34 N LIG 1 6.169 2.312 -1.352 0.00 0.00 -0.346 N ATOM 35 H LIG 1 6.431 3.218 -1.711 0.00 0.00 +0.167 HD ATOM 36 C LIG 1 6.459 -0.167 1.154 0.00 0.00 +0.013 A ATOM 37 C LIG 1 5.307 1.419 -1.933 0.00 0.00 +0.088 A ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 19 21 ENDBRANCH 3 19 BRANCH 5 38 ATOM 38 N LIG 1 -1.846 -1.955 -0.421 0.00 0.00 -0.283 N ATOM 39 H LIG 1 -2.768 -1.688 -0.108 0.00 0.00 +0.155 HD BRANCH 38 40 ATOM 40 C LIG 1 -1.597 -3.319 -0.598 0.00 0.00 +0.034 A ATOM 41 C LIG 1 -2.463 -4.246 -0.001 0.00 0.00 +0.033 A ATOM 42 C LIG 1 -2.241 -5.634 -0.097 0.00 0.00 +0.002 A ATOM 43 C LIG 1 -1.126 -6.125 -0.802 0.00 0.00 +0.071 A ATOM 44 N LIG 1 -0.866 -7.439 -0.921 0.00 0.00 -0.255 NA ATOM 45 C LIG 1 -1.720 -8.308 -0.337 0.00 0.00 +0.111 A ATOM 46 C LIG 1 -2.841 -7.926 0.376 0.00 0.00 +0.020 A ATOM 47 C LIG 1 -0.273 -5.204 -1.388 0.00 0.00 +0.030 A ATOM 48 C LIG 1 -3.103 -6.567 0.497 0.00 0.00 +0.011 A ATOM 49 C LIG 1 -0.495 -3.824 -1.287 0.00 0.00 +0.025 A ENDBRANCH 38 40 ENDBRANCH 5 38 TORSDOF 11