REMARK Name = BDB019111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.282 0.172 -0.294 0.00 0.00 +0.030 A ATOM 2 C LIG 1 0.974 1.381 -0.574 0.00 0.00 +0.096 A ATOM 3 N LIG 1 2.355 1.320 -0.557 0.00 0.00 -0.269 N ATOM 4 C LIG 1 2.819 2.559 -0.914 0.00 0.00 +0.208 A ATOM 5 N LIG 1 1.837 3.417 -1.095 0.00 0.00 -0.224 NA ATOM 6 C LIG 1 3.066 0.145 -0.254 0.00 0.00 +0.202 A ATOM 7 N LIG 1 2.419 -0.963 -0.014 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 0.684 2.692 -0.888 0.00 0.00 +0.166 A ATOM 9 C LIG 1 1.040 -0.918 -0.038 0.00 0.00 +0.125 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -1.327 -0.590 -2.724 0.00 0.00 +0.066 C ATOM 11 C LIG 1 -1.938 -0.368 -1.371 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -1.177 0.002 -0.275 0.00 0.00 +0.025 A ATOM 13 C LIG 1 -1.898 0.176 0.888 0.00 0.00 +0.124 A ATOM 14 N LIG 1 -3.231 0.004 0.988 0.00 0.00 -0.222 NA ATOM 15 C LIG 1 -3.902 -0.352 -0.119 0.00 0.00 +0.218 A ATOM 16 N LIG 1 -3.277 -0.552 -1.294 0.00 0.00 -0.219 NA BRANCH 15 17 ATOM 17 N LIG 1 -5.288 -0.503 -0.059 0.00 0.00 -0.297 N ATOM 18 C LIG 1 -5.833 -1.412 -1.074 0.00 0.00 +0.126 C ATOM 19 C LIG 1 -7.385 -1.421 -1.059 0.00 0.00 +0.068 C ATOM 20 C LIG 1 -7.964 -0.236 -1.836 0.00 0.00 +0.025 C ATOM 21 N LIG 1 -7.995 -1.567 0.284 0.00 0.00 -0.308 NA ATOM 22 H LIG 1 -7.831 -2.531 0.577 0.00 0.00 +0.123 HD ATOM 23 C LIG 1 -7.366 -0.699 1.308 0.00 0.00 +0.068 C ATOM 24 C LIG 1 -7.931 0.725 1.289 0.00 0.00 +0.025 C ATOM 25 C LIG 1 -5.815 -0.699 1.296 0.00 0.00 +0.126 C ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 6 26 ATOM 26 N LIG 1 4.441 0.145 -0.234 0.00 0.00 -0.310 N ATOM 27 H LIG 1 4.750 -0.825 -0.281 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 5.132 0.783 0.884 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 6.609 0.764 0.632 0.00 0.00 +0.012 A ATOM 30 C LIG 1 7.415 -0.326 0.949 0.00 0.00 +0.005 A ATOM 31 C LIG 1 7.064 -1.641 1.536 0.00 0.00 +0.080 C ATOM 32 C LIG 1 8.469 -2.160 1.847 0.00 0.00 +0.234 C ATOM 33 O LIG 1 9.422 -1.474 1.005 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 8.773 -0.320 0.651 0.00 0.00 +0.124 A ATOM 35 C LIG 1 9.389 0.749 0.032 0.00 0.00 +0.049 A ATOM 36 C LIG 1 8.603 1.855 -0.288 0.00 0.00 +0.042 A ATOM 37 C LIG 1 7.233 1.853 0.008 0.00 0.00 +0.129 A ATOM 38 F LIG 1 6.504 2.927 -0.327 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 BRANCH 8 39 ATOM 39 C LIG 1 -0.602 3.308 -1.017 0.00 0.00 +0.121 C ATOM 40 N LIG 1 -1.653 3.792 -1.108 0.00 0.00 -0.189 NA ENDBRANCH 8 39 TORSDOF 6