REMARK Name = BDB026696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.686 -3.144 0.532 0.00 0.00 +0.039 A ATOM 2 C LIG 1 1.401 -3.295 1.073 0.00 0.00 +0.043 A ATOM 3 C LIG 1 0.562 -2.174 1.146 0.00 0.00 +0.091 A ATOM 4 N LIG 1 -0.695 -2.083 1.665 0.00 0.00 -0.226 NA ATOM 5 C LIG 1 -1.067 -0.821 1.521 0.00 0.00 +0.166 A ATOM 6 N LIG 1 -0.077 -0.080 0.872 0.00 0.00 -0.291 N ATOM 7 C LIG 1 0.992 -0.947 0.651 0.00 0.00 +0.074 A ATOM 8 C LIG 1 2.281 -0.776 0.117 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.116 -1.900 0.057 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.154 1.273 0.430 0.00 0.00 +0.049 A ATOM 11 C LIG 1 0.296 1.609 -0.856 0.00 0.00 +0.031 A ATOM 12 C LIG 1 0.205 2.930 -1.312 0.00 0.00 -0.024 A ATOM 13 C LIG 1 0.754 3.331 -2.653 0.00 0.00 +0.046 C ATOM 14 C LIG 1 0.008 4.527 -3.220 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -0.154 5.630 -2.200 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -0.390 5.237 -0.909 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -0.632 5.978 -0.263 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -0.174 6.818 -2.513 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -0.318 3.914 -0.468 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -0.742 3.592 0.819 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -0.669 2.269 1.266 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 -2.412 -0.345 1.845 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -3.532 -0.627 1.067 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -4.787 -0.236 1.549 0.00 0.00 +0.019 A ATOM 25 C LIG 1 -4.883 0.425 2.770 0.00 0.00 +0.021 A ATOM 26 C LIG 1 -3.717 0.669 3.474 0.00 0.00 +0.111 A ATOM 27 N LIG 1 -2.490 0.302 3.044 0.00 0.00 -0.251 NA BRANCH 23 28 ATOM 28 C LIG 1 -3.486 -1.349 -0.218 0.00 0.00 +0.341 C ATOM 29 O LIG 1 -4.357 -2.126 -0.577 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 -2.427 -0.939 -0.956 0.00 0.00 -0.464 OA ATOM 31 C LIG 1 -2.310 -1.599 -2.217 0.00 0.00 +0.280 C ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 5 22 BRANCH 1 35 ATOM 32 C LIG 1 5.835 -5.223 0.684 0.00 0.00 +0.128 C ATOM 33 N LIG 1 4.916 -4.116 0.603 0.00 0.00 -0.314 N ATOM 34 H LIG 1 5.218 -3.228 0.980 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 3.561 -4.345 0.467 0.00 0.00 +0.244 C ATOM 36 O LIG 1 3.071 -5.459 0.330 0.00 0.00 -0.270 OA ENDBRANCH 1 35 TORSDOF 5