REMARK Name = BDB011731 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.280 -0.717 -0.685 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.011 -1.405 -0.254 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.012 -2.591 0.094 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.166 -0.630 -0.279 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.118 0.786 -0.494 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.191 1.632 0.161 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.278 3.022 -0.048 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.232 3.570 -0.904 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.115 2.737 -1.574 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.821 1.128 1.044 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -1.091 1.802 2.248 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -0.360 2.678 2.715 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.054 1.358 -1.371 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.744 0.114 0.510 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -3.432 -1.486 -1.665 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.246 -1.764 -1.034 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -1.977 -2.719 -0.813 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -3.792 -0.327 -1.875 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -4.321 -2.714 -1.998 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -3.551 -3.779 -2.775 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -6.685 -2.988 -2.509 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -5.464 -2.260 -2.819 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -5.608 -1.261 -2.634 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 2.382 -1.194 0.338 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 3.626 -1.279 -0.537 0.00 0.00 -0.019 A ATOM 26 C LIG 1 4.757 -0.420 -0.300 0.00 0.00 -0.013 A ATOM 27 C LIG 1 5.901 -0.554 -1.129 0.00 0.00 -0.018 A ATOM 28 C LIG 1 7.028 0.263 -0.935 0.00 0.00 +0.008 A ATOM 29 C LIG 1 7.053 1.230 0.065 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.947 1.392 0.883 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.917 -1.501 -2.155 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.822 -2.326 -2.384 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.821 0.583 0.703 0.00 0.00 +0.009 A ATOM 34 C LIG 1 3.677 -2.237 -1.585 0.00 0.00 -0.045 A ATOM 35 C LIG 1 2.535 -3.171 -1.890 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 -2.348 1.372 3.004 0.00 0.00 +0.097 C BRANCH 36 37 ATOM 37 C LIG 1 -2.611 2.179 4.278 0.00 0.00 +0.020 C BRANCH 37 38 ATOM 38 C LIG 1 -3.039 3.621 3.997 0.00 0.00 +0.121 C BRANCH 38 39 ATOM 39 C LIG 1 -3.378 4.354 5.275 0.00 0.00 +0.305 C ATOM 40 O LIG 1 -3.757 3.823 6.306 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -3.268 5.697 5.154 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -2.944 5.991 4.282 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 10