REMARK Name = BDB031710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.524 -2.503 -0.094 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.377 -1.697 -1.240 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.131 -1.112 -1.495 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.022 -1.298 -0.683 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.023 -0.531 -1.293 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.412 0.058 -2.411 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.153 -2.122 0.451 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.702 -0.287 -2.494 0.00 0.00 -0.275 N ATOM 9 H LIG 1 2.241 0.073 -3.273 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.399 -2.712 0.722 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.704 1.489 0.973 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.318 0.143 1.059 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.176 -0.845 0.601 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.092 -2.344 0.543 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.852 -3.153 0.217 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.425 -2.763 -0.034 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.139 -1.606 -0.290 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.071 -1.616 -0.675 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.779 -3.913 -0.230 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.417 -3.138 1.624 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.423 -0.467 0.081 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.838 0.844 -0.016 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.959 1.833 0.437 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.071 3.757 1.331 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.773 2.372 1.451 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.272 -0.492 -0.775 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.449 -0.971 0.100 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.328 0.418 -1.032 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -3.597 0.090 -0.547 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.646 0.984 -0.780 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -4.448 2.082 -1.531 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -3.203 2.296 -1.980 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -2.132 1.530 -1.756 0.00 0.00 -0.217 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.929 0.738 -0.270 0.00 0.00 -0.302 N ATOM 35 C LIG 1 -7.011 1.671 -0.665 0.00 0.00 +0.101 C ATOM 36 C LIG 1 -8.342 0.915 -0.400 0.00 0.00 +0.182 C ATOM 37 O LIG 1 -8.515 0.597 0.999 0.00 0.00 -0.376 OA ATOM 38 C LIG 1 -7.342 -0.046 1.542 0.00 0.00 +0.182 C ATOM 39 C LIG 1 -6.869 2.842 0.325 0.00 0.00 +0.026 C ATOM 40 C LIG 1 -6.199 2.223 1.558 0.00 0.00 +0.026 C ATOM 41 C LIG 1 -6.040 0.732 1.208 0.00 0.00 +0.101 C ENDBRANCH 30 34 BRANCH 29 42 ATOM 42 O LIG 1 -3.752 -1.077 0.170 0.00 0.00 -0.489 OA ATOM 43 C LIG 1 -4.367 -2.068 -0.659 0.00 0.00 +0.277 C ENDBRANCH 29 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6