REMARK Name = LIG001919 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.029 -1.502 0.360 0.00 0.00 +0.111 C ATOM 2 N LIG 1 -1.234 -0.737 0.078 0.00 0.00 -0.276 N ATOM 3 C LIG 1 -2.434 -1.233 0.570 0.00 0.00 +0.217 C ATOM 4 O LIG 1 -3.399 -0.517 0.819 0.00 0.00 -0.276 OA ATOM 5 C LIG 1 -2.490 -2.726 0.803 0.00 0.00 +0.096 C ATOM 6 C LIG 1 -1.589 -3.463 -0.172 0.00 0.00 +0.012 C ATOM 7 C LIG 1 -0.150 -2.941 -0.204 0.00 0.00 +0.035 C ATOM 8 C LIG 1 0.294 -1.611 1.888 0.00 0.00 +0.042 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.204 0.637 -0.470 0.00 0.00 +0.164 C ATOM 10 C LIG 1 -1.200 1.690 0.637 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.326 1.704 1.509 0.00 0.00 -0.273 OA ATOM 12 N LIG 1 -2.200 2.623 0.635 0.00 0.00 -0.255 N ATOM 13 H LIG 1 -2.162 3.318 1.367 0.00 0.00 +0.158 HD ATOM 14 C LIG 1 -3.303 2.692 -0.173 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -4.114 3.606 -0.037 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -3.493 1.602 -1.194 0.00 0.00 +0.098 C ATOM 17 C LIG 1 -2.197 0.925 -1.605 0.00 0.00 +0.041 C ENDBRANCH 2 9 BRANCH 1 20 ATOM 18 N LIG 1 1.851 0.215 0.384 0.00 0.00 -0.309 N ATOM 19 H LIG 1 1.251 0.661 1.079 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 1.327 -0.880 -0.286 0.00 0.00 +0.237 C ATOM 21 O LIG 1 1.792 -1.283 -1.350 0.00 0.00 -0.273 OA BRANCH 18 23 ATOM 22 C LIG 1 4.262 0.122 -0.209 0.00 0.00 +0.031 C ATOM 23 C LIG 1 3.011 1.004 -0.060 0.00 0.00 +0.026 C ATOM 24 C LIG 1 3.302 2.066 1.017 0.00 0.00 +0.031 C ATOM 25 C LIG 1 2.708 1.723 -1.383 0.00 0.00 +0.031 C ENDBRANCH 18 23 ENDBRANCH 1 20 TORSDOF 3