REMARK Name = BDB009523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.973 2.766 0.078 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.676 3.629 0.909 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.090 4.195 1.973 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -3.017 3.899 0.656 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.656 3.294 -0.430 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.957 2.412 -1.272 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.595 2.177 -1.027 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 N LIG 1 0.761 1.353 1.102 0.00 0.00 -0.296 N ATOM 9 C LIG 1 0.440 2.481 0.347 0.00 0.00 +0.249 C ATOM 10 O LIG 1 1.274 3.237 -0.145 0.00 0.00 -0.270 OA BRANCH 8 12 ATOM 11 C LIG 1 -0.365 -0.846 0.786 0.00 0.00 +0.024 C ATOM 12 C LIG 1 -0.212 0.399 1.645 0.00 0.00 +0.105 C ENDBRANCH 8 12 BRANCH 8 13 ATOM 13 C LIG 1 2.183 1.054 1.294 0.00 0.00 +0.127 C BRANCH 13 14 ATOM 14 C LIG 1 2.863 0.489 0.038 0.00 0.00 +0.123 C BRANCH 14 15 ATOM 15 N LIG 1 4.262 0.166 0.258 0.00 0.00 -0.310 N ATOM 16 H LIG 1 4.955 0.835 -0.059 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 4.646 -0.955 0.966 0.00 0.00 +0.250 C ATOM 18 O LIG 1 3.818 -1.731 1.431 0.00 0.00 -0.270 OA BRANCH 17 19 ATOM 19 C LIG 1 6.105 -1.181 1.154 0.00 0.00 +0.107 A ATOM 20 C LIG 1 6.554 -2.363 1.751 0.00 0.00 +0.138 A ATOM 21 F LIG 1 5.701 -3.315 2.156 0.00 0.00 -0.205 F ATOM 22 C LIG 1 7.917 -2.606 1.946 0.00 0.00 +0.039 A ATOM 23 C LIG 1 8.860 -1.664 1.544 0.00 0.00 +0.006 A ATOM 24 C LIG 1 8.432 -0.482 0.947 0.00 0.00 +0.039 A ATOM 25 C LIG 1 7.068 -0.249 0.757 0.00 0.00 +0.138 A ATOM 26 F LIG 1 6.715 0.911 0.180 0.00 0.00 -0.205 F ENDBRANCH 17 19 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 1 9 BRANCH 6 27 ATOM 27 C LIG 1 -3.658 1.759 -2.443 0.00 0.00 +0.092 C BRANCH 27 28 ATOM 28 C LIG 1 -3.363 0.266 -2.570 0.00 0.00 +0.069 A ATOM 29 C LIG 1 -3.939 -0.693 -1.575 0.00 0.00 -0.016 A ATOM 30 C LIG 1 -4.863 -0.221 -0.487 0.00 0.00 +0.037 C ATOM 31 C LIG 1 -5.609 -1.363 0.211 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.671 -2.524 0.514 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -4.041 -3.068 -0.769 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -3.588 -1.984 -1.708 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -2.705 -2.405 -2.825 0.00 0.00 +0.268 A ATOM 36 O LIG 1 -2.383 -3.577 -2.988 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -2.283 -1.408 -3.661 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -1.676 -1.675 -4.430 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -2.585 -0.088 -3.549 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 8