propyl+.mol -ISIS- 3D 10 10 0 0 0 0 0 0 0 0 0 -0.0703 0.0573 0.0001 C 0 0 0 0 0 1.7347 -0.0234 0.0000 C 0 0 0 0 0 1.1217 1.2491 -0.0004 C 0 0 0 0 0 1.0644 1.8211 0.9315 H 0 0 0 0 0 1.0641 1.8220 -0.9317 H 0 0 0 0 0 2.0599 -0.4892 0.9386 H 0 0 0 0 0 2.0606 -0.4903 -0.9380 H 0 0 0 0 0 0.1545 -1.0431 -0.0006 H 0 0 0 0 0 -0.6139 0.2203 0.9408 H 0 0 0 0 0 -0.6146 0.2206 -0.9402 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 8 1 0 0 0 1 9 1 0 0 0 1 10 1 0 0 0 2 3 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 M END