REMARK Name = BDB003157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.091 -2.208 -0.528 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.278 -1.373 0.350 0.00 0.00 +0.244 C ATOM 3 N LIG 1 0.681 -0.998 1.266 0.00 0.00 -0.307 N ATOM 4 H LIG 1 0.544 -0.147 1.792 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.589 -0.669 0.440 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -2.342 -0.541 -0.741 0.00 0.00 +0.040 A ATOM 7 C LIG 1 -3.567 0.123 -0.641 0.00 0.00 +0.067 A ATOM 8 C LIG 1 -4.061 0.639 0.551 0.00 0.00 +0.089 A ATOM 9 N LIG 1 -5.280 1.239 0.358 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -5.537 1.093 -0.922 0.00 0.00 +0.197 A ATOM 11 C LIG 1 -3.310 0.491 1.726 0.00 0.00 +0.030 A ATOM 12 N LIG 1 -4.534 0.425 -1.566 0.00 0.00 -0.344 N ATOM 13 H LIG 1 -4.511 0.193 -2.549 0.00 0.00 +0.167 HD ATOM 14 C LIG 1 -2.074 -0.171 1.660 0.00 0.00 +0.015 A ENDBRANCH 2 5 BRANCH 3 15 ATOM 15 C LIG 1 2.032 -1.507 1.192 0.00 0.00 +0.139 C BRANCH 15 16 ATOM 16 C LIG 1 2.935 -0.528 0.484 0.00 0.00 -0.030 A ATOM 17 C LIG 1 2.973 -0.491 -0.918 0.00 0.00 +0.006 A ATOM 18 C LIG 1 3.789 0.427 -1.582 0.00 0.00 +0.020 A ATOM 19 C LIG 1 4.568 1.317 -0.846 0.00 0.00 +0.041 A ATOM 20 CL LIG 1 5.573 2.451 -1.662 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 4.535 1.299 0.547 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.718 0.380 1.211 0.00 0.00 +0.006 A ENDBRANCH 15 16 ENDBRANCH 3 15 TORSDOF 3