REMARK Name = BDB051747 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.030 -1.989 -0.651 0.00 0.00 -0.311 N ATOM 2 H LIG 1 -2.702 -2.209 -1.378 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.628 -1.034 0.149 0.00 0.00 +0.216 A ATOM 4 N LIG 1 -3.947 -0.898 -0.022 0.00 0.00 -0.213 NA ATOM 5 C LIG 1 -4.549 0.022 0.747 0.00 0.00 +0.097 A ATOM 6 C LIG 1 -5.984 0.187 0.617 0.00 0.00 +0.091 A ATOM 7 N LIG 1 -6.852 -0.308 -0.306 0.00 0.00 -0.264 N ATOM 8 C LIG 1 -6.555 -1.153 -1.438 0.00 0.00 +0.173 C ATOM 9 N LIG 1 -8.130 0.077 -0.092 0.00 0.00 -0.166 NA ATOM 10 C LIG 1 -8.093 0.831 1.027 0.00 0.00 +0.151 A ATOM 11 C LIG 1 -6.750 0.933 1.490 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -6.145 1.608 2.675 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -4.633 1.882 2.462 0.00 0.00 +0.043 C ATOM 14 C LIG 1 -3.904 0.816 1.681 0.00 0.00 -0.001 A ATOM 15 C LIG 1 -2.552 0.610 1.757 0.00 0.00 +0.120 A ATOM 16 N LIG 1 -1.903 -0.300 1.006 0.00 0.00 -0.223 NA BRANCH 10 17 ATOM 17 C LIG 1 -9.280 1.447 1.661 0.00 0.00 +0.264 C ATOM 18 N LIG 1 -10.542 1.268 1.141 0.00 0.00 -0.313 N ATOM 19 H LIG 1 -11.256 1.758 1.660 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -10.930 0.542 -0.043 0.00 0.00 +0.128 C ATOM 21 O LIG 1 -9.183 2.138 2.679 0.00 0.00 -0.268 OA ENDBRANCH 10 17 ENDBRANCH 1 3 BRANCH 1 26 ATOM 22 C LIG 1 3.158 0.078 -1.345 0.00 0.00 +0.219 C ATOM 23 N LIG 1 1.940 -0.489 -0.977 0.00 0.00 -0.301 N ATOM 24 C LIG 1 0.720 0.306 -1.123 0.00 0.00 +0.109 C ATOM 25 C LIG 1 -0.385 -0.488 -1.808 0.00 0.00 +0.041 C ATOM 26 C LIG 1 -0.650 -1.829 -1.107 0.00 0.00 +0.076 C ATOM 27 C LIG 1 0.367 -2.173 -0.015 0.00 0.00 +0.041 C ATOM 28 C LIG 1 1.781 -1.862 -0.491 0.00 0.00 +0.109 C ATOM 29 O LIG 1 3.227 1.216 -1.812 0.00 0.00 -0.275 OA BRANCH 22 34 ATOM 30 C LIG 1 8.401 0.390 0.277 0.00 0.00 +0.403 C ATOM 31 N LIG 1 7.144 0.057 -0.198 0.00 0.00 -0.267 N ATOM 32 C LIG 1 6.939 -0.619 -1.474 0.00 0.00 +0.112 C ATOM 33 C LIG 1 5.559 -0.338 -2.053 0.00 0.00 +0.032 C ATOM 34 C LIG 1 4.431 -0.737 -1.082 0.00 0.00 +0.078 C ATOM 35 C LIG 1 4.841 -0.567 0.394 0.00 0.00 +0.032 C ATOM 36 C LIG 1 5.966 0.445 0.565 0.00 0.00 +0.112 C ATOM 37 O LIG 1 8.598 1.023 1.307 0.00 0.00 -0.226 OA BRANCH 30 38 ATOM 38 O LIG 1 9.396 -0.071 -0.531 0.00 0.00 -0.451 OA BRANCH 38 40 ATOM 39 C LIG 1 11.133 1.608 -0.682 0.00 0.00 +0.048 C ATOM 40 C LIG 1 10.735 0.252 -0.129 0.00 0.00 +0.230 C ENDBRANCH 38 40 ENDBRANCH 30 38 ENDBRANCH 22 34 ENDBRANCH 1 26 TORSDOF 6