REMARK Name = BDB003291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.759 1.659 -0.032 0.00 0.00 -0.006 A ATOM 2 C LIG 1 1.717 1.339 0.854 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.799 0.335 0.488 0.00 0.00 +0.033 A ATOM 4 C LIG 1 0.903 -0.383 -0.717 0.00 0.00 +0.039 A ATOM 5 N LIG 1 -0.038 -1.379 -1.051 0.00 0.00 -0.284 N ATOM 6 C LIG 1 0.186 -2.182 -2.259 0.00 0.00 +0.113 C ATOM 7 C LIG 1 0.779 -1.334 -3.376 0.00 0.00 +0.024 C ATOM 8 C LIG 1 2.104 -0.745 -2.916 0.00 0.00 +0.038 C ATOM 9 C LIG 1 1.944 -0.035 -1.597 0.00 0.00 -0.025 A ATOM 10 C LIG 1 2.869 0.963 -1.244 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -0.938 -2.026 -0.174 0.00 0.00 +0.134 A ATOM 12 C LIG 1 -0.486 -2.850 0.896 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -1.471 -3.435 1.726 0.00 0.00 -0.012 A ATOM 14 C LIG 1 -1.091 -4.253 2.804 0.00 0.00 +0.009 A ATOM 15 C LIG 1 0.253 -4.518 3.064 0.00 0.00 +0.001 A ATOM 16 C LIG 1 1.235 -3.962 2.253 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.820 -3.198 1.465 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -3.160 -2.394 0.389 0.00 0.00 +0.128 A ATOM 19 C LIG 1 0.871 -3.141 1.184 0.00 0.00 +0.012 A ATOM 20 N LIG 1 -2.251 -1.825 -0.434 0.00 0.00 -0.226 NA BRANCH 18 21 ATOM 21 C LIG 1 -4.611 -2.161 0.093 0.00 0.00 +0.265 C ATOM 22 N LIG 1 -4.953 -1.080 -0.692 0.00 0.00 -0.291 N ATOM 23 C LIG 1 -6.279 -0.490 -0.803 0.00 0.00 +0.141 C ATOM 24 C LIG 1 -5.602 0.791 -1.317 0.00 0.00 +0.149 C ATOM 25 C LIG 1 -4.245 0.162 -0.952 0.00 0.00 +0.141 C ATOM 26 O LIG 1 -5.458 -2.929 0.551 0.00 0.00 -0.268 OA BRANCH 24 27 ATOM 27 O LIG 1 -5.957 2.017 -0.638 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -5.294 2.667 -0.930 0.00 0.00 +0.210 HD ENDBRANCH 24 27 ENDBRANCH 18 21 ENDBRANCH 5 11 BRANCH 1 33 ATOM 29 C LIG 1 4.778 6.091 0.842 0.00 0.00 +0.172 C ATOM 30 N LIG 1 4.591 4.681 0.611 0.00 0.00 -0.274 N ATOM 31 N LIG 1 5.659 3.862 0.589 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 5.131 2.656 0.364 0.00 0.00 +0.142 A ATOM 33 C LIG 1 3.726 2.699 0.249 0.00 0.00 +0.020 A ATOM 34 C LIG 1 3.413 4.033 0.387 0.00 0.00 +0.116 A ENDBRANCH 1 33 BRANCH 2 35 ATOM 35 C LIG 1 1.555 2.030 2.187 0.00 0.00 +0.372 C ATOM 36 F LIG 1 0.679 1.390 3.019 0.00 0.00 -0.204 F ATOM 37 F LIG 1 1.074 3.301 2.072 0.00 0.00 -0.204 F ENDBRANCH 2 35 TORSDOF 5