REMARK Name = BDB041232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.370 0.537 -0.715 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.072 0.505 -2.152 0.00 0.00 +0.131 C ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.303 2.033 -0.710 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -1.761 0.758 -0.517 0.00 0.00 +0.167 A ATOM 5 N LIG 1 -2.530 -0.286 -0.133 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -3.851 -0.086 0.042 0.00 0.00 +0.165 A ATOM 7 N LIG 1 -4.451 1.099 -0.132 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -3.662 2.130 -0.500 0.00 0.00 +0.162 A BRANCH 6 9 ATOM 9 C LIG 1 -4.649 -1.239 0.469 0.00 0.00 +0.059 A ATOM 10 C LIG 1 -6.027 -1.395 0.276 0.00 0.00 +0.058 A ATOM 11 N LIG 1 -6.677 -2.520 0.696 0.00 0.00 -0.239 NA ATOM 12 C LIG 1 -5.964 -3.471 1.310 0.00 0.00 +0.221 A ATOM 13 N LIG 1 -4.654 -3.427 1.548 0.00 0.00 -0.243 NA ATOM 14 C LIG 1 -4.035 -2.308 1.115 0.00 0.00 +0.126 A BRANCH 10 15 ATOM 15 C LIG 1 -6.888 -0.365 -0.441 0.00 0.00 +0.039 C ATOM 16 C LIG 1 -7.540 0.745 0.357 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -8.390 -0.331 -0.244 0.00 0.00 +0.010 C ENDBRANCH 10 15 ENDBRANCH 6 9 BRANCH 3 19 ATOM 18 C LIG 1 -2.038 4.360 -1.138 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -1.472 3.059 -1.064 0.00 0.00 -0.490 OA ENDBRANCH 3 19 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 0.119 -0.634 0.030 0.00 0.00 +0.141 C BRANCH 20 21 ATOM 21 C LIG 1 1.631 -0.610 0.152 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.283 0.503 0.702 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.674 0.522 0.836 0.00 0.00 +0.012 A ATOM 24 C LIG 1 4.443 -0.570 0.416 0.00 0.00 +0.017 A ATOM 25 C LIG 1 3.789 -1.694 -0.106 0.00 0.00 +0.012 A ATOM 26 C LIG 1 2.398 -1.715 -0.241 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 5.902 -0.583 0.540 0.00 0.00 +0.141 A ATOM 28 N LIG 1 6.758 0.410 0.113 0.00 0.00 -0.333 N ATOM 29 C LIG 1 6.406 1.616 -0.599 0.00 0.00 +0.150 C ATOM 30 C LIG 1 8.039 0.033 0.413 0.00 0.00 +0.119 A ATOM 31 C LIG 1 7.939 -1.219 0.992 0.00 0.00 +0.162 A ATOM 32 N LIG 1 6.603 -1.586 1.042 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 9.037 -2.108 1.500 0.00 0.00 +0.436 C ATOM 34 F LIG 1 9.049 -3.321 0.888 0.00 0.00 -0.164 F ATOM 35 F LIG 1 10.267 -1.561 1.291 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.943 -2.336 2.837 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8