REMARK Name = BDB060002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.564 -1.027 -1.704 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.504 -2.535 -1.503 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.456 -3.389 -2.616 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.393 -4.774 -2.448 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.387 -5.322 -1.167 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.454 -4.488 -0.053 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.518 -3.104 -0.218 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.775 -0.552 -1.127 0.00 0.00 -0.283 N ATOM 9 H LIG 1 0.919 -1.258 -1.841 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.544 -0.292 -0.777 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.909 0.431 0.149 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.352 0.870 0.500 0.00 0.00 +0.074 A ATOM 13 N LIG 1 4.375 -0.060 -0.485 0.00 0.00 -0.253 NA ATOM 14 C LIG 1 3.181 -0.482 -0.966 0.00 0.00 +0.134 A ATOM 15 C LIG 1 1.939 -0.028 -0.526 0.00 0.00 +0.052 A ATOM 16 C LIG 1 1.946 0.929 0.482 0.00 0.00 +0.027 A ATOM 17 C LIG 1 3.162 1.384 1.004 0.00 0.00 +0.030 A BRANCH 12 22 ATOM 18 C LIG 1 9.248 1.335 1.161 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.818 1.492 1.273 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.315 2.364 2.166 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 5.994 2.249 2.000 0.00 0.00 +0.144 A ATOM 22 C LIG 1 5.643 1.309 1.004 0.00 0.00 +0.038 A ATOM 23 C LIG 1 6.863 0.839 0.555 0.00 0.00 +0.118 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.945 -0.548 -1.481 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -3.077 -0.480 -0.467 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.176 0.778 -2.064 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.601 1.282 -1.777 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.877 1.528 -0.311 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -5.686 0.643 0.416 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.928 0.857 1.775 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.361 1.958 2.423 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -4.553 2.844 1.705 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.312 2.630 0.345 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -5.607 2.177 3.818 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -5.809 2.355 4.947 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9