REMARK Name = BDB012474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.439 -3.257 -0.767 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -4.245 -1.914 -0.147 0.00 0.00 -0.018 A ATOM 3 C LIG 1 -2.917 -1.335 0.160 0.00 0.00 +0.097 A ATOM 4 C LIG 1 -1.704 -1.902 -0.408 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.432 -1.707 0.110 0.00 0.00 +0.118 A ATOM 6 N LIG 1 0.450 -2.202 -0.802 0.00 0.00 -0.269 N ATOM 7 C LIG 1 1.894 -2.041 -0.779 0.00 0.00 +0.165 C ATOM 8 C LIG 1 2.315 -0.668 -1.310 0.00 0.00 +0.148 C ATOM 9 N LIG 1 3.157 0.040 -0.356 0.00 0.00 -0.310 N ATOM 10 C LIG 1 4.467 -0.317 -0.091 0.00 0.00 +0.070 A ATOM 11 C LIG 1 4.744 0.292 1.127 0.00 0.00 +0.091 A ATOM 12 C LIG 1 5.998 0.102 1.726 0.00 0.00 +0.030 A ATOM 13 C LIG 1 6.943 -0.699 1.073 0.00 0.00 +0.002 A ATOM 14 C LIG 1 6.642 -1.304 -0.148 0.00 0.00 +0.002 A ATOM 15 N LIG 1 3.665 1.008 1.575 0.00 0.00 -0.214 NA ATOM 16 C LIG 1 5.393 -1.132 -0.756 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.767 0.936 0.619 0.00 0.00 +0.203 A ATOM 18 N LIG 1 1.569 1.600 0.712 0.00 0.00 -0.252 N ATOM 19 H LIG 1 1.415 2.033 1.614 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 0.961 2.197 -0.373 0.00 0.00 +0.250 C ATOM 21 C LIG 1 -0.383 2.782 -0.092 0.00 0.00 +0.037 A ATOM 22 C LIG 1 -1.214 2.209 0.877 0.00 0.00 +0.018 A ATOM 23 C LIG 1 -2.562 2.592 0.996 0.00 0.00 -0.025 A ATOM 24 C LIG 1 -3.495 1.777 1.879 0.00 0.00 +0.182 C ATOM 25 N LIG 1 -3.808 0.471 1.279 0.00 0.00 -0.225 N ATOM 26 C LIG 1 -5.111 0.127 0.970 0.00 0.00 +0.268 A ATOM 27 O LIG 1 -6.105 0.795 1.238 0.00 0.00 -0.266 OA ATOM 28 C LIG 1 -3.040 3.633 0.192 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -2.195 4.252 -0.735 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -0.878 3.812 -0.895 0.00 0.00 +0.013 A ATOM 31 O LIG 1 1.431 2.278 -1.502 0.00 0.00 -0.270 OA ATOM 32 N LIG 1 -0.149 -2.808 -1.839 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 -1.451 -2.602 -1.612 0.00 0.00 +0.144 A ATOM 34 N LIG 1 -2.725 -0.280 0.883 0.00 0.00 -0.168 NA ATOM 35 C LIG 1 -5.281 -1.173 0.277 0.00 0.00 +0.077 A ENDROOT TORSDOF 0