REMARK Name = BDB039486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.301 2.453 0.556 0.00 0.00 -0.320 N ATOM 2 C LIG 1 -3.329 1.567 0.162 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -3.953 0.363 -0.155 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -3.142 -0.701 -0.600 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -1.760 -0.437 -0.672 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -1.242 0.809 -0.312 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -5.346 0.550 0.074 0.00 0.00 +0.029 A ATOM 8 N LIG 1 -2.013 1.841 0.105 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 -5.531 1.842 0.518 0.00 0.00 +0.089 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.209 1.098 -0.364 0.00 0.00 +0.001 A ATOM 11 C LIG 1 1.169 0.128 0.001 0.00 0.00 +0.016 A ATOM 12 C LIG 1 2.517 0.446 -0.062 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.709 -0.394 0.254 0.00 0.00 +0.144 C ATOM 14 N LIG 1 4.814 0.536 0.061 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.388 1.754 -0.451 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.071 2.694 -0.809 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 2.922 1.709 -0.483 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.028 2.693 -0.848 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.667 2.378 -0.780 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.212 0.127 0.016 0.00 0.00 +0.163 C ATOM 21 C LIG 1 6.529 -0.738 -1.216 0.00 0.00 +0.240 C ATOM 22 O LIG 1 5.771 -0.899 -2.169 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 7.756 -1.363 -1.193 0.00 0.00 -0.255 N ATOM 24 H LIG 1 7.948 -1.944 -1.999 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 8.458 -1.704 -0.065 0.00 0.00 +0.219 C ATOM 26 O LIG 1 9.319 -2.578 -0.094 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 8.127 -0.936 1.194 0.00 0.00 +0.098 C ATOM 28 C LIG 1 6.639 -0.626 1.273 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 6 10 BRANCH 1 29 ATOM 29 C LIG 1 -4.057 3.822 0.988 0.00 0.00 +0.212 C BRANCH 29 32 ATOM 30 C LIG 1 -4.994 6.583 -1.943 0.00 0.00 +0.106 C ATOM 31 C LIG 1 -4.667 5.609 -0.901 0.00 0.00 -0.104 C ATOM 32 C LIG 1 -4.394 4.805 -0.051 0.00 0.00 -0.081 C ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 4 33 ATOM 33 C LIG 1 -3.667 -2.063 -0.991 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -3.114 -3.140 -0.163 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -3.514 -4.461 -0.652 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -3.172 -5.374 0.515 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -3.248 -4.483 1.750 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -3.591 -3.097 1.223 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 6