REMARK Name = BDB012453 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.072 -1.378 0.669 0.00 0.00 -0.036 A ATOM 2 C LIG 1 1.814 -1.767 1.165 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.795 -2.112 0.264 0.00 0.00 +0.091 A ATOM 4 N LIG 1 -0.491 -2.509 0.518 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -1.045 -2.725 -0.652 0.00 0.00 +0.204 A ATOM 6 N LIG 1 -2.313 -3.210 -0.878 0.00 0.00 -0.252 N ATOM 7 H LIG 1 -2.468 -3.804 -1.678 0.00 0.00 +0.158 HD ATOM 8 C LIG 1 -3.281 -3.281 0.097 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -4.161 -4.139 0.058 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -3.398 -2.171 1.067 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -3.966 -0.969 0.626 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -4.108 0.120 1.501 0.00 0.00 -0.025 A ATOM 13 C LIG 1 -3.676 -0.029 2.826 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.141 -1.245 3.272 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.705 1.426 1.008 0.00 0.00 +0.182 C ATOM 16 N LIG 1 -3.780 2.221 0.198 0.00 0.00 -0.225 N ATOM 17 N LIG 1 -3.256 1.599 -0.912 0.00 0.00 -0.168 NA ATOM 18 C LIG 1 -2.363 2.223 -1.615 0.00 0.00 +0.092 A ATOM 19 C LIG 1 -1.932 3.610 -1.357 0.00 0.00 +0.035 A ATOM 20 C LIG 1 -2.477 4.211 -0.296 0.00 0.00 +0.074 A ATOM 21 C LIG 1 -1.680 1.466 -2.700 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -1.466 0.100 -2.463 0.00 0.00 +0.015 A ATOM 23 C LIG 1 -0.769 -0.712 -3.370 0.00 0.00 -0.027 A ATOM 24 C LIG 1 -0.339 -0.131 -4.569 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -0.573 1.227 -4.828 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -0.516 -2.178 -3.072 0.00 0.00 +0.160 C ATOM 27 C LIG 1 -1.236 2.031 -3.893 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -3.454 3.515 0.572 0.00 0.00 +0.268 A ATOM 29 O LIG 1 -3.908 4.110 1.546 0.00 0.00 -0.266 OA ATOM 30 C LIG 1 -3.010 -2.325 2.395 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -0.169 -2.400 -1.671 0.00 0.00 -0.307 N ATOM 32 C LIG 1 1.042 -2.064 -1.102 0.00 0.00 +0.070 A ATOM 33 C LIG 1 2.278 -1.679 -1.632 0.00 0.00 +0.028 A ATOM 34 C LIG 1 3.288 -1.349 -0.718 0.00 0.00 +0.006 A ENDROOT BRANCH 1 35 ATOM 35 C LIG 1 4.186 -1.025 1.634 0.00 0.00 +0.131 C BRANCH 35 38 ATOM 36 C LIG 1 6.326 -0.121 3.417 0.00 0.00 +0.131 C ATOM 37 N LIG 1 5.673 0.783 2.482 0.00 0.00 -0.307 N ATOM 38 C LIG 1 4.705 0.410 1.546 0.00 0.00 +0.219 C ATOM 39 O LIG 1 4.302 1.200 0.691 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 6.229 2.126 2.412 0.00 0.00 +0.131 C ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 2