REMARK Name = BDB020438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.498 0.277 0.965 0.00 0.00 +0.146 A ATOM 2 C LIG 1 1.133 0.136 1.209 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.184 0.305 0.603 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.080 -0.098 1.735 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.343 -0.540 2.977 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -0.563 -2.022 3.293 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.660 0.355 4.177 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.451 -0.166 1.653 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -2.976 0.278 0.466 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -2.513 1.090 0.091 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.159 -0.605 2.553 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 1.032 -0.311 2.489 0.00 0.00 +0.066 A ATOM 13 N LIG 1 2.282 -0.424 2.976 0.00 0.00 -0.277 N ATOM 14 H LIG 1 2.601 -0.721 3.892 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 3.206 -0.072 2.050 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 2.999 0.705 -0.211 0.00 0.00 -0.324 N ATOM 17 H LIG 1 2.406 0.725 -1.032 0.00 0.00 +0.148 HD BRANCH 16 22 ATOM 18 C LIG 1 8.195 0.190 -2.108 0.00 0.00 +0.239 C ATOM 19 N LIG 1 6.828 0.292 -1.908 0.00 0.00 -0.298 N ATOM 20 C LIG 1 5.875 -0.811 -1.982 0.00 0.00 +0.110 C ATOM 21 C LIG 1 4.886 -0.763 -0.822 0.00 0.00 +0.041 C ATOM 22 C LIG 1 4.436 0.667 -0.474 0.00 0.00 +0.075 C ATOM 23 C LIG 1 4.764 1.653 -1.598 0.00 0.00 +0.041 C ATOM 24 C LIG 1 6.260 1.636 -1.896 0.00 0.00 +0.110 C ATOM 25 O LIG 1 8.919 1.156 -2.340 0.00 0.00 -0.271 OA BRANCH 18 27 ATOM 26 C LIG 1 8.778 -1.893 -0.934 0.00 0.00 +0.013 C ATOM 27 C LIG 1 8.816 -1.153 -2.050 0.00 0.00 +0.060 C ENDBRANCH 18 27 ENDBRANCH 16 22 ENDBRANCH 1 16 BRANCH 9 28 ATOM 28 C LIG 1 -4.425 0.272 0.245 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 C LIG 1 -4.727 1.172 -0.947 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -4.304 0.840 -2.245 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.563 1.693 -3.319 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.241 2.891 -3.111 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.661 3.239 -1.829 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.404 2.387 -0.753 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.982 -1.181 0.078 0.00 0.00 +0.111 C BRANCH 35 36 ATOM 36 N LIG 1 -6.441 -1.295 -0.162 0.00 0.00 -0.306 NA ATOM 37 C LIG 1 -6.782 -2.675 -0.514 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -7.210 -0.879 1.013 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 9 28 TORSDOF 7