REMARK Name = BDB020425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.029 1.515 -0.124 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.640 1.473 -0.300 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.535 0.623 -0.124 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.618 1.507 -0.657 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.144 2.876 -1.087 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.706 3.994 -0.203 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.406 3.131 -2.572 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.955 1.178 -0.666 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.232 -0.099 -0.253 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -2.568 -0.788 -0.566 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.839 1.962 -0.995 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.296 2.679 -0.824 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.425 3.401 -0.953 0.00 0.00 -0.277 N ATOM 14 H LIG 1 1.565 4.346 -1.299 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.503 2.700 -0.537 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.155 0.519 0.598 0.00 0.00 +0.223 C ATOM 17 N LIG 1 2.784 0.482 0.389 0.00 0.00 -0.268 N ATOM 18 H LIG 1 2.276 -0.350 0.644 0.00 0.00 +0.156 HD ATOM 19 O LIG 1 4.905 1.463 0.381 0.00 0.00 -0.275 OA BRANCH 16 23 ATOM 20 C LIG 1 8.360 -0.055 1.241 0.00 0.00 +0.239 C ATOM 21 N LIG 1 7.164 -0.591 0.793 0.00 0.00 -0.297 N ATOM 22 C LIG 1 6.069 -0.687 1.754 0.00 0.00 +0.120 C ATOM 23 C LIG 1 4.676 -0.824 1.131 0.00 0.00 +0.093 C ATOM 24 C LIG 1 4.613 -1.907 0.038 0.00 0.00 +0.016 C ATOM 25 C LIG 1 5.984 -2.317 -0.500 0.00 0.00 +0.020 C ATOM 26 C LIG 1 6.950 -1.141 -0.543 0.00 0.00 +0.108 C ATOM 27 O LIG 1 8.620 0.127 2.429 0.00 0.00 -0.271 OA BRANCH 20 29 ATOM 28 C LIG 1 9.145 1.148 -0.761 0.00 0.00 +0.013 C ATOM 29 C LIG 1 9.393 0.284 0.233 0.00 0.00 +0.060 C ENDBRANCH 20 29 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 30 ATOM 30 C LIG 1 -4.615 -0.588 -0.223 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 C LIG 1 -4.571 -2.110 -0.151 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -4.195 -2.784 1.022 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.124 -4.178 1.050 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.417 -4.916 -0.094 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.781 -4.262 -1.269 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.854 -2.868 -1.299 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.439 0.081 0.928 0.00 0.00 +0.111 C BRANCH 37 38 ATOM 38 N LIG 1 -6.837 -0.386 1.087 0.00 0.00 -0.306 NA ATOM 39 C LIG 1 -7.658 -0.024 -0.070 0.00 0.00 +0.104 C ATOM 40 C LIG 1 -7.418 0.183 2.305 0.00 0.00 +0.104 C ENDBRANCH 37 38 ENDBRANCH 30 37 ENDBRANCH 9 30 TORSDOF 7