REMARK Name = BDB038491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.180 -0.916 1.145 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.421 -0.771 -0.022 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.751 -0.470 -1.154 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.976 -1.053 0.335 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.098 -1.032 -0.470 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.339 -1.327 0.116 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.400 -1.644 1.494 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.245 -1.662 2.302 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.032 -1.359 1.690 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.340 -1.291 2.276 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.768 -0.175 0.314 0.00 0.00 +0.002 A ATOM 12 C LIG 1 3.384 -0.371 0.176 0.00 0.00 +0.033 A ATOM 13 C LIG 1 2.584 -0.730 1.271 0.00 0.00 +0.038 A ATOM 14 C LIG 1 3.217 -0.900 2.514 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.596 -0.716 2.659 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.370 -0.354 1.561 0.00 0.00 +0.010 A BRANCH 11 18 ATOM 17 C LIG 1 6.301 1.308 -1.186 0.00 0.00 +0.064 A ATOM 18 C LIG 1 5.591 0.170 -0.839 0.00 0.00 +0.079 A ATOM 19 N LIG 1 5.949 -0.768 -1.792 0.00 0.00 -0.266 N ATOM 20 C LIG 1 5.489 -2.136 -1.889 0.00 0.00 +0.173 C ATOM 21 N LIG 1 6.865 -0.332 -2.674 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.087 0.926 -2.295 0.00 0.00 +0.146 A BRANCH 17 25 ATOM 23 C LIG 1 4.249 2.961 0.832 0.00 0.00 +0.152 C ATOM 24 N LIG 1 5.539 3.357 0.344 0.00 0.00 -0.316 N ATOM 25 C LIG 1 6.356 2.735 -0.562 0.00 0.00 +0.167 A ATOM 26 N LIG 1 7.302 3.592 -0.909 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 7.158 4.737 -0.168 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 6.093 4.583 0.578 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.310 -1.986 3.770 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.865 -0.956 4.541 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.531 -3.053 4.096 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.561 -2.279 4.215 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.602 -1.322 -0.726 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -4.812 -0.047 -1.431 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -5.955 -0.150 -2.362 0.00 0.00 +0.091 C ATOM 36 C LIG 1 -7.151 0.253 -1.534 0.00 0.00 -0.015 C ATOM 37 C LIG 1 -8.393 -0.611 -1.503 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -8.424 0.712 -2.210 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -6.673 0.914 -0.275 0.00 0.00 +0.023 C ATOM 40 C LIG 1 -5.175 1.058 -0.520 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 6