REMARK Name = BDB039439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.205 -3.977 0.405 0.00 0.00 +0.164 A ATOM 2 C LIG 1 2.773 -2.639 0.181 0.00 0.00 +0.131 A ATOM 3 C LIG 1 3.907 -1.956 -0.231 0.00 0.00 +0.090 A ATOM 4 C LIG 1 3.880 -0.595 -0.548 0.00 0.00 -0.004 A ATOM 5 C LIG 1 2.611 -0.003 -0.405 0.00 0.00 +0.035 A ATOM 6 C LIG 1 1.500 -0.741 0.022 0.00 0.00 +0.072 A ATOM 7 N LIG 1 4.899 -2.901 -0.225 0.00 0.00 -0.273 N ATOM 8 H LIG 1 5.876 -2.775 -0.462 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 1.551 -2.064 0.305 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 4.499 -4.134 0.134 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.164 -0.122 0.184 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.002 -0.852 -0.141 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -2.245 -0.261 0.015 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -3.602 -0.806 -0.274 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -4.481 0.263 0.183 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -3.769 1.398 0.544 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -4.195 2.498 0.837 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -2.347 1.042 0.489 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -1.244 1.798 0.824 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.014 1.204 0.673 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -5.910 0.245 -0.105 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -6.211 0.896 -1.464 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -5.433 0.871 -2.417 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -7.474 1.422 -1.614 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -7.682 1.819 -2.520 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -8.517 1.378 -0.723 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -9.637 1.767 -1.042 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -8.236 0.746 0.620 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -6.768 0.873 0.993 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 2.406 -4.973 0.822 0.00 0.00 -0.340 N ATOM 31 H LIG 1 2.732 -5.920 0.672 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 1.402 -4.850 0.744 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 5.066 0.215 -1.010 0.00 0.00 +0.122 C BRANCH 33 34 ATOM 34 N LIG 1 5.356 1.330 -0.095 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 6.105 0.869 1.094 0.00 0.00 +0.117 C ATOM 36 C LIG 1 7.428 1.333 0.450 0.00 0.00 +0.142 C ATOM 37 C LIG 1 6.539 2.083 -0.563 0.00 0.00 +0.117 C BRANCH 36 38 ATOM 38 O LIG 1 8.317 2.127 1.263 0.00 0.00 -0.389 OA ATOM 39 H LIG 1 7.757 2.825 1.648 0.00 0.00 +0.210 HD ENDBRANCH 36 38 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 6