REMARK Name = BDB038329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.152 -3.309 -0.259 0.00 0.00 -0.332 N ATOM 2 C LIG 1 0.249 -1.965 0.008 0.00 0.00 +0.143 A ATOM 3 C LIG 1 1.591 -1.609 -0.078 0.00 0.00 +0.027 A ATOM 4 C LIG 1 1.914 -0.260 0.165 0.00 0.00 -0.003 A ATOM 5 C LIG 1 0.850 0.602 0.488 0.00 0.00 +0.053 A ATOM 6 C LIG 1 -0.461 0.131 0.534 0.00 0.00 +0.131 A ATOM 7 C LIG 1 2.307 -2.796 -0.405 0.00 0.00 +0.030 A ATOM 8 N LIG 1 -0.788 -1.159 0.300 0.00 0.00 -0.214 NA ATOM 9 C LIG 1 1.397 -3.825 -0.511 0.00 0.00 +0.088 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -1.539 0.991 0.828 0.00 0.00 -0.248 N ATOM 11 C LIG 1 -1.508 2.365 1.017 0.00 0.00 +0.253 C ATOM 12 O LIG 1 -0.586 3.158 0.962 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.888 2.779 1.303 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.374 4.044 1.573 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.742 4.170 1.812 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -5.583 3.042 1.774 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -5.075 1.758 1.497 0.00 0.00 +0.060 A ATOM 18 C LIG 1 -3.707 1.653 1.263 0.00 0.00 -0.006 A ATOM 19 C LIG 1 -2.882 0.446 0.944 0.00 0.00 +0.151 C BRANCH 17 20 ATOM 20 C LIG 1 -5.966 0.545 1.454 0.00 0.00 +0.418 C ATOM 21 F LIG 1 -5.928 -0.077 0.244 0.00 0.00 -0.166 F ATOM 22 F LIG 1 -7.276 0.818 1.696 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -5.601 -0.395 2.368 0.00 0.00 -0.166 F ENDBRANCH 17 20 ENDBRANCH 6 10 BRANCH 4 24 ATOM 24 C LIG 1 3.307 0.206 0.115 0.00 0.00 -0.006 A ATOM 25 C LIG 1 4.079 0.237 -1.070 0.00 0.00 +0.027 A ATOM 26 C LIG 1 5.423 0.650 -1.013 0.00 0.00 +0.012 A ATOM 27 C LIG 1 5.999 1.062 0.188 0.00 0.00 +0.001 A ATOM 28 C LIG 1 5.241 1.059 1.352 0.00 0.00 +0.001 A ATOM 29 C LIG 1 3.912 0.633 1.316 0.00 0.00 +0.009 A BRANCH 25 30 ATOM 30 C LIG 1 3.558 -0.159 -2.378 0.00 0.00 +0.164 A ATOM 31 N LIG 1 2.551 0.455 -3.080 0.00 0.00 -0.317 N ATOM 32 C LIG 1 1.814 1.644 -2.744 0.00 0.00 +0.152 C ATOM 33 C LIG 1 2.411 -0.243 -4.241 0.00 0.00 +0.225 A ATOM 34 N LIG 1 3.298 -1.207 -4.285 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 4.031 -1.143 -3.124 0.00 0.00 -0.129 NA ENDBRANCH 25 30 ENDBRANCH 4 24 BRANCH 1 37 ATOM 36 C LIG 1 -1.500 -4.546 1.090 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -1.085 -4.065 -0.289 0.00 0.00 +0.120 C ENDBRANCH 1 37 TORSDOF 5