REMARK Name = BDB024399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.451 -0.828 -0.223 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.389 -2.351 -0.310 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.504 -2.967 -1.211 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.435 -4.359 -1.302 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.248 -5.154 -0.496 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.134 -4.559 0.400 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.208 -3.168 0.491 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.042 -0.066 1.704 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.087 -0.078 2.716 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.199 -0.360 1.233 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -2.130 -0.322 2.053 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.897 0.475 0.274 0.00 0.00 +0.004 A ATOM 13 C LIG 1 3.572 0.096 1.567 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.301 -0.064 2.011 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.294 0.125 1.134 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.526 0.556 -0.164 0.00 0.00 +0.044 A ATOM 17 C LIG 1 2.843 0.722 -0.600 0.00 0.00 +0.013 A BRANCH 12 20 ATOM 18 C LIG 1 6.138 2.576 1.400 0.00 0.00 +0.068 C ATOM 19 C LIG 1 6.264 1.539 0.344 0.00 0.00 +0.068 A ATOM 20 C LIG 1 5.272 0.644 -0.135 0.00 0.00 +0.027 A ATOM 21 C LIG 1 5.901 -0.102 -1.117 0.00 0.00 +0.044 A ATOM 22 C LIG 1 5.426 -1.219 -1.974 0.00 0.00 +0.066 C ATOM 23 N LIG 1 7.181 0.391 -1.181 0.00 0.00 -0.271 N ATOM 24 C LIG 1 8.248 -0.042 -2.055 0.00 0.00 +0.172 C ATOM 25 N LIG 1 7.426 1.372 -0.295 0.00 0.00 -0.176 NA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -2.761 -0.347 -0.723 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.473 -0.592 -0.031 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.810 1.091 -1.010 0.00 0.00 +0.089 C BRANCH 28 29 ATOM 29 C LIG 1 -3.478 1.970 0.080 0.00 0.00 +0.030 C ATOM 30 C LIG 1 -3.414 3.450 -0.324 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 -4.912 1.557 0.387 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.239 1.088 1.669 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.544 0.692 1.975 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -7.543 0.760 1.001 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.230 1.223 -0.279 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.923 1.617 -0.584 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -8.883 0.355 1.312 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.970 0.030 1.562 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9