REMARK Name = BDB037844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.451 2.079 0.043 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.565 1.125 -0.147 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.320 -0.240 -0.218 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.560 -0.878 -0.485 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.517 0.053 -0.588 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.041 -0.832 -0.031 0.00 0.00 +0.057 C ATOM 7 C LIG 1 2.050 0.209 -0.559 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.941 1.226 -0.228 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.785 1.605 0.045 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.739 2.303 0.415 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.810 -2.332 -0.632 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.119 -2.812 -0.611 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.392 -4.225 -0.675 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.879 -4.427 -0.723 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.520 -3.066 -0.716 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.017 -4.872 -1.874 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.379 -2.060 -0.397 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.868 -3.119 -0.744 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.503 -1.577 0.996 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.612 -1.194 2.088 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.895 2.277 0.113 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -2.913 3.466 -0.852 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.355 4.738 -0.143 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.402 4.427 0.766 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -3.959 3.696 1.910 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -2.893 2.648 1.597 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.458 -0.138 -0.340 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.995 0.554 0.175 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 4.092 -1.080 -1.111 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.520 -1.730 -1.976 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.553 -1.264 -0.875 0.00 0.00 +0.039 A ATOM 32 C LIG 1 6.115 -0.971 0.387 0.00 0.00 +0.046 A ATOM 33 C LIG 1 7.500 -1.200 0.474 0.00 0.00 +0.135 A ATOM 34 C LIG 1 8.287 -1.706 -0.643 0.00 0.00 +0.134 A ATOM 35 N LIG 1 9.560 -1.812 -0.246 0.00 0.00 -0.049 NA ATOM 36 O LIG 1 9.579 -1.395 1.075 0.00 0.00 -0.242 OA ATOM 37 C LIG 1 7.715 -2.006 -1.891 0.00 0.00 +0.034 A ATOM 38 N LIG 1 8.320 -1.022 1.516 0.00 0.00 -0.049 NA ATOM 39 C LIG 1 6.327 -1.772 -1.964 0.00 0.00 +0.015 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 1.395 -1.302 1.375 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.146 -0.474 2.614 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.367 -1.741 2.393 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 0.757 4.316 -0.976 0.00 0.00 +0.025 C ATOM 44 C LIG 1 0.316 3.513 0.243 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7