REMARK Name = BDB020979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.288 6.196 2.067 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -4.127 4.865 1.530 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -4.841 4.588 0.877 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -2.867 4.421 1.216 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -2.798 3.127 0.725 0.00 0.00 -0.278 N ATOM 6 C LIG 1 -1.512 2.732 0.143 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -1.381 1.257 -0.005 0.00 0.00 +0.064 A ATOM 8 N LIG 1 -2.381 0.384 0.343 0.00 0.00 -0.328 N ATOM 9 C LIG 1 -1.941 -0.892 0.138 0.00 0.00 +0.117 A ATOM 10 N LIG 1 -0.707 -0.887 -0.315 0.00 0.00 -0.232 NA ATOM 11 C LIG 1 -3.647 0.810 0.896 0.00 0.00 +0.142 C ATOM 12 C LIG 1 -0.349 0.439 -0.429 0.00 0.00 +0.094 A ATOM 13 C LIG 1 -3.946 2.246 0.486 0.00 0.00 +0.131 C ATOM 14 O LIG 1 -1.874 5.126 1.372 0.00 0.00 -0.253 OA ENDROOT BRANCH 12 15 ATOM 15 C LIG 1 0.972 0.845 -0.877 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.087 0.113 -0.432 0.00 0.00 +0.022 A ATOM 17 C LIG 1 3.386 0.475 -0.845 0.00 0.00 +0.028 A ATOM 18 C LIG 1 4.717 0.018 -0.628 0.00 0.00 +0.103 A ATOM 19 N LIG 1 5.620 0.778 -1.262 0.00 0.00 -0.170 NA ATOM 20 N LIG 1 4.877 1.695 -1.904 0.00 0.00 -0.266 N ATOM 21 C LIG 1 5.531 2.695 -2.714 0.00 0.00 +0.173 C ATOM 22 C LIG 1 3.527 1.572 -1.695 0.00 0.00 +0.069 A ATOM 23 C LIG 1 2.434 2.310 -2.170 0.00 0.00 +0.028 A ATOM 24 C LIG 1 1.156 1.921 -1.751 0.00 0.00 +0.012 A BRANCH 18 25 ATOM 25 C LIG 1 5.126 -1.128 0.181 0.00 0.00 +0.040 A ATOM 26 C LIG 1 4.401 -2.184 0.685 0.00 0.00 +0.118 A ATOM 27 N LIG 1 5.294 -2.966 1.360 0.00 0.00 -0.274 N ATOM 28 C LIG 1 5.014 -4.194 2.062 0.00 0.00 +0.172 C ATOM 29 N LIG 1 6.555 -2.497 1.328 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.450 -1.380 0.599 0.00 0.00 +0.144 A ENDBRANCH 18 25 ENDBRANCH 12 15 BRANCH 9 31 ATOM 31 C LIG 1 -2.742 -2.194 0.429 0.00 0.00 +0.090 C ATOM 32 C LIG 1 -2.071 -3.504 -0.030 0.00 0.00 +0.120 C ATOM 33 N LIG 1 -3.389 -3.886 -0.529 0.00 0.00 -0.300 N ATOM 34 C LIG 1 -3.737 -4.887 -1.397 0.00 0.00 +0.212 C ATOM 35 O LIG 1 -4.753 -4.844 -2.087 0.00 0.00 -0.276 OA ATOM 36 C LIG 1 -2.781 -6.047 -1.455 0.00 0.00 +0.109 C ATOM 37 C LIG 1 -3.862 -2.508 -0.579 0.00 0.00 +0.120 C ENDBRANCH 9 31 TORSDOF 3