REMARK Name = BDB014155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.862 0.619 1.583 0.00 0.00 -0.336 N ATOM 2 C LIG 1 0.528 0.344 1.457 0.00 0.00 +0.117 A ATOM 3 C LIG 1 0.026 1.343 0.643 0.00 0.00 +0.107 A ATOM 4 N LIG 1 1.042 2.210 0.290 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 2.125 1.754 0.876 0.00 0.00 +0.200 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -1.363 1.492 0.214 0.00 0.00 +0.091 A ATOM 7 N LIG 1 -1.737 2.729 -0.193 0.00 0.00 -0.253 NA ATOM 8 C LIG 1 -3.014 2.903 -0.585 0.00 0.00 +0.112 A ATOM 9 C LIG 1 -3.959 1.892 -0.603 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -3.568 0.616 -0.202 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -2.249 0.420 0.223 0.00 0.00 +0.040 A BRANCH 10 12 ATOM 12 C LIG 1 -4.484 -0.509 -0.185 0.00 0.00 +0.124 A ATOM 13 C LIG 1 -5.517 -0.792 -1.049 0.00 0.00 +0.166 A ATOM 14 N LIG 1 -6.018 -1.974 -0.585 0.00 0.00 -0.253 N ATOM 15 H LIG 1 -6.786 -2.535 -0.941 0.00 0.00 +0.191 HD ATOM 16 N LIG 1 -5.338 -2.412 0.482 0.00 0.00 -0.067 NA ATOM 17 N LIG 1 -4.387 -1.525 0.735 0.00 0.00 -0.129 NA BRANCH 13 18 ATOM 18 C LIG 1 -6.083 -0.158 -2.233 0.00 0.00 +0.436 C ATOM 19 F LIG 1 -5.137 0.228 -3.119 0.00 0.00 -0.164 F ATOM 20 F LIG 1 -6.921 -1.002 -2.890 0.00 0.00 -0.164 F ATOM 21 F LIG 1 -6.812 0.939 -1.915 0.00 0.00 -0.164 F ENDBRANCH 13 18 ENDBRANCH 10 12 ENDBRANCH 3 6 BRANCH 1 22 ATOM 22 C LIG 1 2.824 -0.145 2.352 0.00 0.00 +0.127 C BRANCH 22 23 ATOM 23 C LIG 1 3.314 -1.398 1.621 0.00 0.00 +0.059 C BRANCH 23 29 ATOM 24 F LIG 1 6.546 -0.249 -2.864 0.00 0.00 -0.202 F ATOM 25 C LIG 1 5.774 -0.520 -1.803 0.00 0.00 +0.161 A ATOM 26 C LIG 1 4.470 -0.972 -1.984 0.00 0.00 +0.159 A ATOM 27 F LIG 1 3.981 -1.139 -3.220 0.00 0.00 -0.202 F ATOM 28 C LIG 1 3.662 -1.259 -0.885 0.00 0.00 +0.047 A ATOM 29 C LIG 1 4.167 -1.098 0.413 0.00 0.00 -0.008 A ATOM 30 C LIG 1 5.482 -0.637 0.569 0.00 0.00 +0.130 A ATOM 31 F LIG 1 5.977 -0.465 1.803 0.00 0.00 -0.205 F ATOM 32 C LIG 1 6.289 -0.347 -0.526 0.00 0.00 +0.080 A ENDBRANCH 23 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 6