REMARK Name = BDB036775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.286 -2.170 0.811 0.00 0.00 +0.235 C ATOM 2 C LIG 1 -1.349 -1.070 1.040 0.00 0.00 +0.183 C ATOM 3 C LIG 1 -2.762 -1.657 0.859 0.00 0.00 +0.171 C ATOM 4 C LIG 1 -2.886 -2.486 -0.423 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -1.823 -3.590 -0.373 0.00 0.00 +0.175 C ATOM 6 O LIG 1 -0.511 -3.002 -0.340 0.00 0.00 -0.357 OA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.825 -0.664 0.923 0.00 0.00 -0.243 N ATOM 8 N LIG 1 -4.910 -0.905 1.684 0.00 0.00 -0.065 NA ATOM 9 N LIG 1 -5.740 0.117 1.530 0.00 0.00 -0.129 NA ATOM 10 C LIG 1 -5.183 0.999 0.639 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -3.964 0.505 0.230 0.00 0.00 +0.139 A BRANCH 10 12 ATOM 12 C LIG 1 -5.821 2.235 0.220 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -5.238 3.087 -0.726 0.00 0.00 +0.048 A ATOM 14 C LIG 1 -5.887 4.261 -1.098 0.00 0.00 +0.124 A ATOM 15 F LIG 1 -5.317 5.066 -2.006 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -7.113 4.615 -0.549 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -7.705 3.779 0.393 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -7.062 2.596 0.773 0.00 0.00 +0.010 A ENDBRANCH 10 12 ENDBRANCH 3 7 BRANCH 1 21 ATOM 19 N LIG 1 2.086 -2.495 0.334 0.00 0.00 -0.312 N ATOM 20 H LIG 1 1.735 -3.367 -0.045 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 1.109 -1.548 0.606 0.00 0.00 +0.245 C ATOM 22 O LIG 1 1.360 -0.350 0.689 0.00 0.00 -0.273 OA BRANCH 19 23 ATOM 23 C LIG 1 3.428 -2.088 -0.045 0.00 0.00 +0.123 C BRANCH 23 24 ATOM 24 C LIG 1 4.245 -1.510 1.123 0.00 0.00 +0.120 C BRANCH 24 25 ATOM 25 N LIG 1 5.606 -1.175 0.699 0.00 0.00 -0.341 N ATOM 26 H LIG 1 6.314 -1.503 1.355 0.00 0.00 +0.146 HD BRANCH 25 30 ATOM 27 C LIG 1 6.715 2.503 -0.901 0.00 0.00 +0.214 A ATOM 28 N LIG 1 7.675 1.634 -0.534 0.00 0.00 -0.219 NA ATOM 29 C LIG 1 7.245 0.460 -0.008 0.00 0.00 +0.137 A ATOM 30 C LIG 1 5.910 0.097 0.207 0.00 0.00 +0.046 A ATOM 31 C LIG 1 4.961 1.025 -0.225 0.00 0.00 +0.029 A ATOM 32 C LIG 1 5.362 2.245 -0.773 0.00 0.00 +0.069 A BRANCH 27 34 ATOM 33 C LIG 1 8.464 3.914 -1.547 0.00 0.00 +0.279 C ATOM 34 O LIG 1 7.057 3.724 -1.447 0.00 0.00 -0.480 OA ENDBRANCH 27 34 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 2 35 ATOM 35 O LIG 1 -1.217 -0.643 2.413 0.00 0.00 -0.374 OA ATOM 36 C LIG 1 -1.125 0.769 2.564 0.00 0.00 +0.194 C ENDBRANCH 2 35 BRANCH 4 37 ATOM 37 O LIG 1 -2.669 -1.649 -1.568 0.00 0.00 -0.387 OA ATOM 38 H LIG 1 -3.084 -2.071 -2.342 0.00 0.00 +0.210 HD ENDBRANCH 4 37 BRANCH 5 39 ATOM 39 C LIG 1 -1.886 -4.500 -1.604 0.00 0.00 +0.190 C BRANCH 39 40 ATOM 40 O LIG 1 -0.955 -5.570 -1.459 0.00 0.00 -0.392 OA ATOM 41 H LIG 1 -0.081 -5.151 -1.355 0.00 0.00 +0.210 HD ENDBRANCH 39 40 ENDBRANCH 5 39 TORSDOF 12