REMARK Name = BDB013896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.734 -0.366 0.453 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.657 0.592 0.939 0.00 0.00 +0.240 C ATOM 3 O LIG 1 2.013 1.704 1.361 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.320 0.199 0.898 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.187 -1.133 0.590 0.00 0.00 +0.040 A ATOM 6 C LIG 1 0.524 -2.349 0.682 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.145 -3.564 0.362 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -1.476 -3.612 -0.036 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -2.206 -2.439 -0.145 0.00 0.00 -0.016 A ATOM 10 C LIG 1 1.948 -2.606 1.120 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.539 -1.236 0.167 0.00 0.00 +0.032 A ATOM 12 C LIG 1 2.834 -1.450 1.504 0.00 0.00 +0.036 C ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 -3.617 -2.439 -0.580 0.00 0.00 -0.018 A ATOM 14 C LIG 1 -4.037 -3.191 -1.691 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -5.372 -3.183 -2.107 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.313 -2.420 -1.422 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.921 -1.665 -0.321 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -4.587 -1.677 0.096 0.00 0.00 +0.008 A ENDBRANCH 9 13 BRANCH 1 20 ATOM 19 C LIG 1 5.064 -0.080 -0.362 0.00 0.00 +0.230 C ATOM 20 N LIG 1 3.986 0.383 0.352 0.00 0.00 -0.303 N ATOM 21 H LIG 1 3.992 1.311 0.767 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 5.060 -1.170 -0.932 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 6.266 0.889 -0.397 0.00 0.00 +0.137 C ATOM 24 C LIG 1 5.985 1.997 -1.408 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 8.036 -0.624 0.299 0.00 0.00 +0.101 C ATOM 26 N LIG 1 7.503 0.181 -0.795 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 7.253 -0.452 -1.562 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 4 28 ATOM 28 C LIG 1 -0.634 1.212 1.419 0.00 0.00 +0.149 C BRANCH 28 29 ATOM 29 C LIG 1 -1.588 1.929 0.453 0.00 0.00 -0.019 A ATOM 30 C LIG 1 -2.942 2.192 0.894 0.00 0.00 -0.013 A ATOM 31 C LIG 1 -3.867 2.760 -0.020 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -5.203 2.991 0.350 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -5.659 2.688 1.628 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.777 2.160 2.555 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -3.456 3.102 -1.307 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -2.138 2.917 -1.705 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -3.446 1.921 2.195 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -1.188 2.355 -0.841 0.00 0.00 -0.045 A ATOM 39 C LIG 1 0.214 2.240 -1.370 0.00 0.00 +0.044 C ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 6